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108-90-7

Basic Information
CAS No.: 108-90-7
Name: Benzene,chloro-
Molecular Structure:
Molecular Structure of 108-90-7 (Benzene,chloro-)
Formula: C6H5Cl
Molecular Weight: 112.56
Synonyms: Monochlorobenzene;NSC 8433;Phenylchloride;Tetrosin SP;CP27;IP Carrier T 40;MCB;Benzenyl chloride;
EINECS: 203-628-5
Density: 1.1075 g/cm3
Melting Point: -45 °C
Boiling Point: 131 °C
Flash Point: 29 °C
Solubility: water: 0.4 g/L (20 °C)
Appearance: colourless liquid
Hazard Symbols: HarmfulXn,DangerousN,ToxicT,FlammableF
Risk Codes: 10-20-51/53-40-39/23/24/25-23/24/25-11
Safety: 24/25-61-36/37-45
Transport Information: UN 1134 3/PG 3
PSA: 0.00000
LogP: 2.34000
Synthetic route
625-99-0

3-iodochlorobenzene

108-90-7

chlorobenzene

Conditions
ConditionsYield
With potassium carbonate; iron pentacarbonyl In methanol at 60℃; under 760 Torr; for 8h;100%
With hydrogenchloride; CuI*P(Et)3; naphthalen-1-yl-lithium 1.) THF, 25 deg C, 10 min; Yield given. Multistep reaction;
With 2,2'-azobis(isobutyronitrile); sodium methylate In methanol at 70.2℃; Mechanism; var. iodobenzenes;
With tetrahydrofuran; 1,10-Phenanthroline; potassium tert-butylate at 70℃; for 24h; Schlenk technique; Inert atmosphere; chemoselective reaction;90 %Chromat.
With potassium tert-butylate at 80℃; for 12h; Inert atmosphere; Schlenk technique;88 %Chromat.
615-41-8

2-iodochlorobenzene

108-90-7

chlorobenzene

Conditions
ConditionsYield
With potassium carbonate; iron pentacarbonyl In methanol at 60℃; under 760 Torr; for 2h;100%
With hydrogen cation; copper 1) THF, 25 deg C, 10 min; Yield given. Multistep reaction;
With hydrogenchloride; CuI*P(Et)3; naphthalen-1-yl-lithium 1.) THF, 25 deg C, 10 min; Yield given. Multistep reaction;
With sodium methylate In methanol; dimethyl sulfoxide at 50.1℃; Rate constant; Mechanism; other iodoarenes;
71-41-0

pentan-1-ol

95-50-1

1,2-dichloro-benzene

A

30752-18-2

1-bromo-4-pentyloxybenzene

B

51241-39-5

2-chlorophenyl pentyl ether

C

108-90-7

chlorobenzene

Conditions
ConditionsYield
With potassium hydroxide; PEG-6000 at 150℃; for 6h; Yields of byproduct given;A n/a
B 100%
C n/a
71-43-2

benzene

A

98-95-3

nitrobenzene

B

108-90-7

chlorobenzene

Conditions
ConditionsYield
With potassium chloride; potassium nitrate; trifluoroacetic acid at 20℃; for 5.04h; Product distribution; Mechanism; other time, other ratio of reagents, other solvent;A 100%
B n/a
42967-53-3

tetraphenylbismuth chloride

A

603-33-8

triphenylbismuthane

B

108-90-7

chlorobenzene

Conditions
ConditionsYield
In not given decomposition at room temp.;A 100%
B 100%
637-87-6

1-Chloro-4-iodobenzene

A

2050-68-2

4,4'-dichlorobiphenyl

B

108-90-7

chlorobenzene

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 2-pentanol at 100℃; for 20h; Inert atmosphere;A 0.2%
B 99.8%
With nickel at 80℃; for 4h; Product distribution; Ni derived from NiBr2 or from NiCl2; var. times;
With nickel at 80℃; for 4h;A 77 % Chromat.
B 25 % Chromat.
106-39-8

bromochlorobenzene

A

2050-68-2

4,4'-dichlorobiphenyl

B

108-90-7

chlorobenzene

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 2-pentanol at 100℃; for 57h; Inert atmosphere;A 0.8%
B 99.2%
In 1,2-dimethoxyethane at 85℃; Product distribution; var. solvents; var. times; Ni from NiI2 or NiBr2;
With nickel In 1,2-dimethoxyethane at 85℃; for 20h;A 61 % Chromat.
B 32 % Chromat.
637-87-6

1-Chloro-4-iodobenzene

108-90-7

chlorobenzene

Conditions
ConditionsYield
With bis(cyclopentadienyl)titanium dichloride; sodium tetrahydroborate; air In N,N-dimethyl-formamide at 70℃; for 24h;99%
With butyl magnesium bromide; zirconocene dichloride In tetrahydrofuran for 1h; Ambient temperature;98%
With lithium aluminium tetrahydride; di-tert-butyl peroxide In tetrahydrofuran for 0.7h; Irradiation;96%
615-41-8

2-iodochlorobenzene

A

108-90-7

chlorobenzene

B

13029-08-8

2,2'-Dichlorobiphenyl

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 2-pentanol at 100℃; for 36h; Inert atmosphere;A 98.4%
B 1.6%
106-39-8

bromochlorobenzene

A

108-90-7

chlorobenzene

B

71-43-2

benzene

Conditions
ConditionsYield
With lithium aluminium tetrahydride In 1,2-dimethoxyethane at 35℃; for 4h; ultrasonic acceleration of reduction;A 98%
B n/a
With lithium aluminium tetrahydride; Tridecane In diethyl ether at 0℃; for 0.25h; Irradiation; Title compound not separated from byproducts;A 77 % Chromat.
B 18 % Chromat.
With Amberlite IRA-400; borohydride form; nickel diacetate In methanol at 20℃; for 3h; Reduction;A 56 % Chromat.
B 19 % Chromat.
108-37-2

1-bromo-3-chlorobenzene

A

108-90-7

chlorobenzene

B

71-43-2

benzene

Conditions
ConditionsYield
With lithium aluminium tetrahydride In 1,2-dimethoxyethane at 35℃; for 4h; ultrasonic acceleration of reduction;A 98%
B n/a
694-80-4

2-bromo-1-chlorobenzene

108-90-7

chlorobenzene

Conditions
ConditionsYield
With dibutylbis(cyclopentadienyl)zirconium for 1h; Ambient temperature;98%
With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene at 70℃; Rate constant;
With tetrahydrofuran; 1,10-Phenanthroline; potassium tert-butylate at 110℃; for 24h; Schlenk technique; Inert atmosphere; chemoselective reaction;85 %Chromat.
With ZnSe/CdS core/shell QDs; N-ethyl-N,N-diisopropylamine In hexane at 25℃; for 48h; Irradiation; Inert atmosphere;51 %Chromat.
106-39-8

bromochlorobenzene

108-90-7

chlorobenzene

Conditions
ConditionsYield
With butyl magnesium bromide; zirconocene dichloride In tetrahydrofuran for 6h; Ambient temperature;97%
With lithium aluminium tetrahydride; di-tert-butyl peroxide In tetrahydrofuran for 1h; Irradiation;92%
With tetrabutoxytitanium; diisobutylaluminium hydride In diethyl ether for 6h; Heating;91%

(C6H5)4Sb(1+)*H3COC6H4S(1-)*0.11CHCl3 = (C6H5)4SbSC6H4OCH3*0.11CHCl3

A

696-63-9

4-Methoxybenzenethiol

B

H3COC6H4SCCl3

C

5335-87-5

4,4'-dimethoxyphenyl disulfide

D

603-36-1

triphenylantimony

E

108-90-7

chlorobenzene

Conditions
ConditionsYield
In tetrachloromethane byproducts: biphenyl; reflux; not isolated, GLC;A 36%
B 40%
C 22%
D 96%
E 33%
36964-86-0

dichloro(o-chlorophenyl)phenylsilane

A

18030-58-5

9,9-dichloro-9-silafluorene

B

98-13-5

Phenyltrichlorosilane

C

108-90-7

chlorobenzene

D

80-10-4

diphenylsilyl dichloride

Conditions
ConditionsYield
With hexachlorodisilane at 500℃; gas phase; Further byproducts given;A 95%
B 0.3 g
C 0.8 g
D 0.2 g

(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)phenylgold

932-72-9

(Dichloroiodo)benzene

A

chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I)

B

108-90-7

chlorobenzene

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene Solvent; Temperature; UV-irradiation;A 95%
B 95%
108-86-1

bromobenzene

108-90-7

chlorobenzene

Conditions
ConditionsYield
With iron(III) chloride; sodium chloride In acetonitrile for 10h; Kinetics; Catalytic behavior; Quantum yield; Reagent/catalyst; Irradiation; Green chemistry;94.3%
With sodium chlorite; trichloroacetic acid In dichloromethane for 3h; Substitution;92%
With trans-bis(glycinato)copper(II) monohydrate; tetramethlyammonium chloride In ethanol at 100℃; for 12h; Finkelstein Reaction; Schlenk technique; Inert atmosphere;90%
67-56-1

methanol

100-34-5

benzene diazonium chloride

A

92-52-4

biphenyl

B

100-66-3

methoxybenzene

C

108-90-7

chlorobenzene

D

71-43-2

benzene

Conditions
ConditionsYield
With trans-bis[1,2-bis(diphenylphosphino)ethane]bis(dinitrogen)tungsten(0) In methanol for 0.25h; Product distribution; Ambient temperature; reagents' ratio and mode of the mixing dependence; also with EtOH, CH3OD, CD3OD;A 1.7%
B 1.6%
C 0.4%
D 93.1%
98-95-3

nitrobenzene

108-90-7

chlorobenzene

Conditions
ConditionsYield
With Dichlorophenylphosphine In various solvent(s) at 170℃; for 5h;93%
With thionyl chloride at 160 - 200℃; im Rohr;
With chlorine at 22.85℃; under 700 Torr; Kinetics; Further Variations:; Pressures; Substitution;
With tetrachloromethane at 250℃; for 7h; Inert atmosphere; Autoclave;90 %Spectr.
With thionyl chloride at 160 - 200℃; im Rohr;
201230-82-2

carbon monoxide

673-41-6

p-chlorobenzenediazonium tetrafluoroborate

A

104-88-1

4-chlorobenzaldehyde

B

108-90-7

chlorobenzene

Conditions
ConditionsYield
With palladium diacetate; polymethylhydrosiloxane In diethyl ether; acetonitrile under 7355.08 Torr; for 12h;A 93%
B n/a
65-85-0

benzoic acid

108-90-7

chlorobenzene

Conditions
ConditionsYield
With trichloroisocyanuric acid; bromine In tetrachloromethane at -10 - 100℃; for 6h; Solvent; Temperature; Concentration; Time; Photolysis;93%
625-99-0

3-iodochlorobenzene

A

2050-67-1

PCB 11

B

108-90-7

chlorobenzene

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 2-pentanol at 100℃; for 29h; Inert atmosphere;A 7.2%
B 92.8%
98-88-4

benzoyl chloride

108-90-7

chlorobenzene

Conditions
ConditionsYield
palladium on activated charcoal In gas at 360℃;92%
With nickel at 420℃;

benzenediazonium; tetrachloro cuprate(II)

108-90-7

chlorobenzene

Conditions
ConditionsYield
In dimethyl sulfoxide Ambient temperature;92%
19819-95-5

2-(2-chlorophenyl)-1-ethanol

108-90-7

chlorobenzene

Conditions
ConditionsYield
With 1,10-Phenanthroline; oxygen; copper diacetate; silver nitrate; sodium hydroxide In dimethyl sulfoxide at 140℃; under 3750.38 Torr; for 12h; Autoclave; Green chemistry;92%
10557-71-8

4-chlorophenyltrimethylsilane

108-90-7

chlorobenzene

Conditions
ConditionsYield
With potassium trimethylsilonate In dimethyl sulfoxide at 60℃; under 760.051 Torr; for 6h; Catalytic behavior; Reagent/catalyst; Solvent; Sealed tube;91%
In sulfuric acid; acetic acid at 50℃;
In sulfuric acid; acetic acid at 50℃; Rate constant; 1.) other solvetnts, 2.) k (excit.);
With potassium trimethylsilonate In dimethyl sulfoxide at 70℃; for 6h; Sealed tube; Schlenk technique;89 %Chromat.
873-76-7

para-Chlorobenzyl alcohol

A

108-90-7

chlorobenzene

B

74-11-3

para-chlorobenzoic acid

Conditions
ConditionsYield
With tert.-butylhydroperoxide; manganese(II) acetate; trifluoroacetic acid In acetonitrile at 80℃; under 15001.5 Torr; for 21h; Mechanism; chemoselective reaction;A n/a
B 91%
64357-12-6

benzoin phenylhydrazone ethyl ether

A

93-89-0

benzoic acid ethyl ester

B

574-09-4

2-ethoxy-1,2-diphenyl-ethanone

C

119-53-9

2-hydroxy-2-phenylacetophenone

D

100-52-7

benzaldehyde

E

108-90-7

chlorobenzene

F

71-43-2

benzene

Conditions
ConditionsYield
With copper dichloride for 5h; Product distribution; Heating; variation of time;A 90%
B 10%
C 40%
D 10%
E n/a
F n/a
86379-23-9

5-(2-Chloro-phenoxy)-1-phenyl-1H-tetrazole

A

5097-82-5

1-phenyl-5-hydroxytetrazole

B

108-90-7

chlorobenzene

C

71-43-2

benzene

Conditions
ConditionsYield
With sodium hypophosphite; palladium on activated charcoal In ethanol; water; benzene for 4.16667h; Heating;A n/a
B 10%
C 90%
palladium on activated charcoal In ethanol; benzene Mechanism; Product distribution; various reagents, temperatures and reaction times;
28557-00-8

phenylzinc chloride

108-90-7

chlorobenzene

Conditions
ConditionsYield
With N-chloro-succinimide; palladium (II) ion In tetrahydrofuran at 45℃; for 16h;90%
108-90-7

chlorobenzene

80-07-9

4,4'-dichlorodiphenyl sulphone

Conditions
ConditionsYield
With sulfuric acid; trifluoroacetic acid; trifluoroacetic anhydride; Η-β Zeochem at 10 - 53℃; for 4h; Product distribution / selectivity;100%
With sulfuric acid at 20℃; for 4h;95.02%
Stage #1: chlorobenzene With aluminum (III) chloride; thionyl chloride In water at 50 - 90℃; for 3h;
Stage #2: With sulfuric acid; dihydrogen peroxide; acetic acid In water at 80℃; for 3h;
93.8%
108-90-7

chlorobenzene

71-43-2

benzene

Conditions
ConditionsYield
With sodium hydroxide; ethanol; hydrogen; PdCl2-poly(N-vinyl-2-pyrrolidone); palladium dichloride at 65℃; under 760 Torr; for 2h; Product distribution; effect of bases and solvents on the hydrodechlorination;100%
With potassium hydroxide; hydrogen; palladium on activated charcoal; Aliquat 336 In 2,2,4-trimethylpentane at 50℃; for 4.5h;100%
With sodium hydroxide; ethanol; hydrogen; PdCl2-poly(N-vinyl-2-pyrrolidone); palladium dichloride at 65℃; under 760 Torr; for 2h;100%
108-90-7

chlorobenzene

103-30-0

(E)-1,2-diphenyl-ethene

Conditions
ConditionsYield
With C50H64Cl2N12Pd2(6+)*6F6P(1-); sodium acetate In N,N-dimethyl-formamide at 140℃; for 24h; Reagent/catalyst; Heck Reaction;100%
With cesium acetate; PdCl[(C6H3)(OP(i-Pr)2)2-2,6] In 1,4-dioxane at 120℃; for 120h; Arylation; Heck reaction;99%
With tetrabutylammonium acetate; palladium diacetate; DavePhos In 1,4-dioxane at 80℃; for 24h; Heck reaction; Inert atmosphere; Sealed tube;99%
71-41-0

pentan-1-ol

108-90-7

chlorobenzene

2050-04-6

(pentyloxy)benzene

Conditions
ConditionsYield
With potassium hydroxide; PEG-6000 at 150℃; for 6h;100%
108-90-7

chlorobenzene

100-58-3

phenylmagnesium bromide

92-52-4

biphenyl

Conditions
ConditionsYield
nickel(II) In tetrahydrofuran for 18h; Product distribution; other catalyst, other solvents; other Grignard compounds and alkyl or vinyl halides;100%
With CpNi[1-(ethoxycarbonyl)methyl-3-(3,5-dimethylbenzyl)benzimidazolin-2-ylidene]Br In tetrahydrofuran at 25℃; for 3h; Kumada Cross-Coupling; Inert atmosphere; Schlenk technique;97%
With Pd/Al(OH)3 In toluene at 140℃; for 36h; Kumada Cross-Coupling; Inert atmosphere;94%
108-90-7

chlorobenzene

98-80-6

phenylboronic acid

92-52-4

biphenyl

Conditions
ConditionsYield
With Cs2O3; PCy3 adduct of cyclopalladated ferrocenylimine In 1,4-dioxane at 100℃; for 15h; Suzuki cross-coupling reaction;100%
With dichloro(cycloocta-1,5-diene)palladium (II); 2,2-[μ-(N,N'-piperazindiyl)dimethyl]-bis(4,6-di-tert-butyl-phenol); potassium carbonate In methanol for 0.166667h; Suzuki cross-coupling reaction; Microwave irradiation; Inert atmosphere;100%
With potassium carbonate In methanol at 100℃; for 0.0833333h; Suzuki-Miyaura Coupling; Microwave irradiation;100%
108-90-7

chlorobenzene

110-82-7

cyclohexane

Conditions
ConditionsYield
With hydrogen; Leuna-Kontakt 6525 at 150℃; Product distribution; other halogen organic compounds, var. catalysts;100%
With hydrogen; platinum at 120℃; under 16501.7 Torr; for 1.66667h; Autoclave; Inert atmosphere;12.8%
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; hydrogen; triethylamine In isopropyl alcohol at 75℃; under 31028.9 Torr; for 4h; other chloroaromatics; var. reaction time; catalytic hydrodechlorination;
108-90-7

chlorobenzene

93-55-0

1-phenyl-propan-1-one

2042-85-5

1,2-diphenylpropan-1-one

Conditions
ConditionsYield
With sodium t-butanolate; (SIPr)Pd(allyl)Cl In tetrahydrofuran at 70℃; for 1h; Product distribution; Further Variations:; Catalysts;100%
With potassium tert-butylate; C41H50ClN3Pd In tetrahydrofuran at 80℃; for 4h; Reagent/catalyst; Inert atmosphere;99%
With sodium t-butanolate; N,N'-bis(2,6-diisopropylphenyl)imidazol-2-ylidene-acetylacetonate palladium chloride In toluene at 60℃; for 1h;98%
108-90-7

chlorobenzene

100-46-9

benzylamine

758640-21-0

N-Benzylaniline

Conditions
ConditionsYield
With (55)Pd068(44)Ni032; potassium carbonate In water at 80℃; for 8h; Catalytic behavior; Buchwald-Hartwig Coupling;100%
With (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine; sodium t-butanolate; palladium diacetate In 1,2-dimethoxyethane at 100℃; for 48h;99%
With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 100℃; for 48h;99%
25603-67-2

9-phenyl-fluoren-9-ol

108-90-7

chlorobenzene

377092-23-4

phenyl-[1,1';2',1'']terphenyl-2-yl-methanone

Conditions
ConditionsYield
With palladium diacetate; caesium carbonate; tricyclohexylphosphine In o-xylene for 4h; Heating;100%
108-90-7

chlorobenzene

25015-63-8

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

195062-61-4

4-chlorophenylboronic acid pinacol ester

Conditions
ConditionsYield
[Ir(COD)(1,3-dicyclohexylimidazolidin-2-ylidene)2]CF3CO2 at 40℃; for 10h;100%
(η4-1,5-cyclooctadiene)bis(1,3-dimethylimidazolin-2-ylidene)iridium(I) trifluoracetate In chlorobenzene byproducts: H2; (N2); using Schlenk techniques; dissolving of 2 mmol pinacolborane and 1.5 mol% of Ir(COD)(C3H2N2Me2)2(CF3CO2) in chlorobenzene; stirring and heating at 40°C for 12 h; monitoring by GC-MS; removal of solvent under vac. at room temp.; chromy. over silica gel, eluting with CH2Cl2;100%
(η4-1,5-cyclooctadiene)(1,1'-dimethyl-3,3'-o-xylylene-diimidazolin-2,2'-diylidene)iridium(I) trifluoroacetate In chlorobenzene (N2); using Schlenk techniques; dissolving of 2 mmol pinacolborane and 1.5 mol% of Ir(COD)(1,1'-dimethyl-3,3'-o-xylylene-diimidazolin-2,2'-diylidene)2(CF3CO2) in chlorobenzene; stirring and heating at 40°C for12 h; monitoring by GC-MS; removal of solvent under vac. at room temp.; chromy. over silica gel, eluting with CH2Cl2;100%
108-90-7

chlorobenzene

potassium ferrocyanide

100-47-0

benzonitrile

Conditions
ConditionsYield
With sodium carbonate; palladium diacetate In 1-methyl-pyrrolidin-2-one; Hexadecane at 140℃; for 16h; Product distribution / selectivity;100%
With [Pd{C6H3(CH2CH2NH2)-4-OMe-5-κ2-C,N}(μ-Br)]2; potassium carbonate In N,N-dimethyl-formamide at 130℃; for 0.166667h; Microwave irradiation;94%
With sodium carbonate; palladium diacetate; tri-tert-butyl phosphine In 1-methyl-pyrrolidin-2-one; Hexadecane at 140℃; for 16h; Product distribution / selectivity;88%
1008-89-5

2-phenylpyridine

108-90-7

chlorobenzene

219843-48-8

2-(biphenyl-2-yl)pyridine

Conditions
ConditionsYield
With dichloro[1-(3-methylbenzyl)-3-(n-butyl)benzimidazol-2-ylidene]ruthenium(II); potassium acetate In water at 100℃; for 1h; Reagent/catalyst;100%
With rhodium(III) chloride hydrate; sodium carbonate; triphenylphosphine In 1-methyl-pyrrolidin-2-one at 140℃; for 22h; Inert atmosphere;99%
With C36H35Cl2PRu; potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 24h; regioselective reaction;87%

C68H84N4Ni2

108-90-7

chlorobenzene

A

(μ-Cl)2Ni2(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)2

B

613-33-2

(4,4'-dimethyl-1,1'-biphenyl)

C

92-66-0

4-bromo-1,1'-biphenyl

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 21h;A 100%
B n/a
C n/a

C23H40O7Si2

108-90-7

chlorobenzene

C22H40O5Si2

Conditions
ConditionsYield
at 140℃; for 1h; Microwave irradiation;100%

filgotinib hydrochloride

108-90-7

chlorobenzene

filgotinib chlorobenzene

Conditions
ConditionsYield
Stage #1: filgotinib hydrochloride; chlorobenzene at 20℃; for 0.166667h;
Stage #2: With sodium hydroxide In water at 5℃; for 32h;
100%

bis(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)nickel(I) chloride

108-90-7

chlorobenzene

bis(1,3-bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)(dichloro)nickel

Conditions
ConditionsYield
In benzene-d6 for 2h; Irradiation;100%
75-79-6

Methyltrichlorosilane

1185-55-3

Methyltrimethoxysilan

108-90-7

chlorobenzene

3027-21-2

dimethoxy(methyl)phenylsilane

Conditions
ConditionsYield
Stage #1: Methyltrimethoxysilan; chlorobenzene With magnesium In tetrahydrofuran for 1h; Reflux;
Stage #2: Methyltrichlorosilane; Methyltrimethoxysilan; chlorobenzene In tetrahydrofuran for 6.5h; Concentration; Reflux;
99.6%
60-35-5

acetamide

108-90-7

chlorobenzene

103-84-4

Acetanilid

Conditions
ConditionsYield
With C33H37N4P; potassium carbonate; bis(dibenzylideneacetone)-palladium(0) In tert-butyl alcohol at 95℃; for 18h; Catalytic behavior; Solvent; Temperature; Reagent/catalyst; Time; Inert atmosphere; Sonication;99.1%
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; potassium carbonate In 1,4-dioxane at 90℃; for 18h; Buchwald-Hartwig Coupling; Inert atmosphere; Glovebox;80%
With potassium phosphate; copper(l) iodide In N,N-dimethyl-formamide at 120℃; for 48h; Ullmann condensation;33%
With copper(l) iodide; potassium carbonate; pipecolic Acid In N,N-dimethyl-formamide at 110℃; for 30h; Goldberg coupling reaction;24%
With C33H37N4P; potassium carbonate; bis(dibenzylideneacetone)-palladium(0) In tert-butyl alcohol at 95℃; for 18h; Catalytic behavior; Reagent/catalyst; Solvent; Inert atmosphere; Sonication;
75-36-5

acetyl chloride

108-90-7

chlorobenzene

99-91-2

para-chloroacetophenone

Conditions
ConditionsYield
With zinc at 65 - 68℃; for 0.00833333h; Friedel-Crafts acylation; microwave irradiation;99%
With iron(III) oxide at 20℃; for 0.0833333h; Friedel Crafts acylation; regioselective reaction;95%
With zinc(II) oxide at 20℃; for 0.166667h; Friedel-Crafts acylation;87%
62-53-3

aniline

108-90-7

chlorobenzene

122-39-4

diphenylamine

Conditions
ConditionsYield
With sodium t-butanolate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; Ni(PPh3)2(1-(p-acetylnaphthyl))Cl In 1,4-dioxane at 100℃;99%
With bis(η3-allyl-μ-chloropalladium(II)); potassium tert-butylate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In 1,4-dioxane at 100℃; for 1.5h; Inert atmosphere;99%
With sodium t-butanolate In toluene at 110℃; Inert atmosphere; Glovebox; chemoselective reaction;99%
92-69-3

4-Phenylphenol

108-90-7

chlorobenzene

3933-94-6

4-Phenoxybiphenyl

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 12h;99%
With potassium hydroxide; copper at 375 - 400℃;
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    108-90-7

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  • Casno:

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    Product Name chlorobenzene CAS No 108-90-7 Formula C6H5Cl Molecular Weight 112.55700

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    MSDS/COA Download

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    MSDS/COA Download

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    MSDS/COA Download

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    108-90-7

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    108-90-7

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  • Casno:

    108-90-7

    108-90-7

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    108-90-7

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    108-90-7

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    108-90-7

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    108-90-7

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    Changsha EASCHEM is a leading company in marketing ang distributing chemicals and new materials with establishment in 2013 by reregistering from Easchem International from China. We, EASCHEM, are the brand with the aim for erecting up Big Chemica

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    Business Type:Lab/Research institutions

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    Address:2/F-4/Bld Colorful Palace, No.605 Changsha Ave, Yuhua Area Changsha Hunan China.

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    108-90-7

    Factory Supply Chlorobenzene

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    Ality Holding Group Limited, established in 2007, is a comprehensive Chemical Supply Group with Patent Technology as its core. Ality Group operates branches in Hong Kong, Singapore and mainland China, including production bases in Shandong, Zhejiang

    Ality Group, established in 2007, is a comprehensive Chemical Supply Group with Patent Technology as its core. Ality Group operates branches in Hong Kong, Singapore and mainland Ch

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    Business Type:Other

    Tel:0513-87616220

    Address:Fine chemical industry park, Nantong,Jiangsu

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  • Chlorobenzene

  • Casno:

    108-90-7

    Chlorobenzene

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  •  Zibo Dorne chemical technology co. LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-533-2362027

    Address:No. 416, 4th floor, zhongguancun science and technology city, no. 1, west 6th road, zhangdian district

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  • 108-90-7

  • Casno:

    108-90-7

    108-90-7

    Min.Order: 0

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    Compound sourcing ServicesAgency of testing serviceFactory audit serviceFounded in Dec. 1999, Nanjing Chemlin Chemical Industrial Co.,Ltd(CHEMLIN) has been covering the business scope from trading of chemicals to custom-synthesis & Manufacturing. Co

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    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-25-83697070

    Address:Rm.902 Longyin Plaza, No. 217 Zhongshan Rd.(N) Nanjing 210009,China

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  • Chlorobenzene

  • Casno:

    108-90-7

    Chlorobenzene

    Min.Order: 0

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    Hangzhou Huarong Pharm Co., Ltd.established since 2006 , has been actively developing specialty products for Finished Dosages, APIs, Intermediates, and Fine chemicals markets in North America, Europe, Korea, Japan, Mid-East and all over the World. Hu

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Consensus Reports

NTP Carcinogenesis Studies (gavage); Some Evidence: rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-261 ,1985. ; No Evidence: mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-261 ,1985. . Reported in EPA TSCA Inventory. Community Right-To-Know List.

Standards and Recommendations

OSHA PEL: TWA 75 ppm
ACGIH TLV: TWA 10 ppm; Animal Carcinogen; BEI: 150 mg/g creatinine of total 4-chlorocatechol in urine at end of shift; 25 mg/g creatinine of total p-chloropohenol in urine at end of shift
DFG MAK: 10 ppm (47 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Analytical Methods

For occupational chemical analysis use NIOSH: Hydrocarbons, Halogenated, 1003.

Specification

The Chloro benzene with CAS registry number of 108-90-7 is also known as Benzene,chloro-. The IUPAC name and product name are the same. It belongs to product categories of Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Anhydrous Grade SolventsSolvents; Solvent Bottles; Solvents; Sure/Seal? Bottles; Aryl; C6; Halogenated Hydrocarbons; Amber Glass Bottles; Carbon Steel Cans with NPT Threads; ReagentPlus(R) Solvent Grade Products; ReagentPlus(R)Semi-Bulk Solvents; ReagentPlus(R)Solvents; Alphabetic; Alpha Sort; C; CAlphabetic; CH; Volatiles/ Semivolatiles; ACS Grade SolventsAnalytical Reagents for General Use; C-D, Puriss p.a. ACS; Puriss p.a. ACS; CHROMASOLV for HPLCSolvents; CHROMASOLV Solvents (HPLC, LC-MS); CHROMASOLV(R) HPLC Grade Solvents; Analytical Standards; AromaticsAlphabetic; CHChemical Class; Chemical Class; Chloro; Halogenated; ACS Grade Solvents; ACS GradeSemi-Bulk Solvents. Its EINECS registry number is 203-628-5. In addition, the formula is C6H5Cl and the molecular weight is 112.56. This chemical is a colourless liquid and should be stored in sealed containers in cool, dry place and away from oxidizing agents.

Physical properties about Chloro benzene are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.843; (4)ACD/LogD (pH 7.4): 2.843; (5)ACD/BCF (pH 5.5): 85.291; (6)ACD/BCF (pH 7.4): 85.291; (7)ACD/KOC (pH 5.5): 838.978; (8)ACD/KOC (pH 7.4): 838.978; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 31.148 cm3; (11)Molar Volume: 101.384 cm3; (12)Surface Tension: 33.081 dyne/cm; (13)Density: 1.11 g/cm3; (14)Flash Point: 23.889 °C; (15)Enthalpy of Vaporization: 35.19 kJ/mol; (16)Boiling Point: 131.719 °C at 760 mmHg; (17)Vapour Pressure: 11.234 mmHg at 25 °C.

Preparation of Chloro benzene: add dry benzene into chlorination reactor. Then add 1% iron as catalyst and add gaseous chlorine to maintain the reaction temperature at 40~60 °C. After the chlorination reaction, add 10% NaOH to the chloride material. At last, product is obtained by dry and distillation.

Uses of Chloro benzene: it is used as intermediate of dye, medicine, pesticide and organic synthesis. It's also used to produce solvent, rubber chemical, paint, quick-drying ink, dry cleaning and so on. Besides, this chemical is used in test of electronic industrial products and raw materials.

When you are using this chemical, please be cautious about it. As a chemical, it is highly flammable and has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves. What's more, avoid contact with skin and eyes and avoid release to the environment. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)Cl
2. InChI: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
3. InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD skin > 11gm/kg (11000mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 271, 1991.
guinea pig LD50 oral 2250mg/kg (2250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 34, 1982.
guinea pig LDLo intraperitoneal 4100mg/kg (4100mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LIVER: FATTY LIVER DEGERATION

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896.
mammal (species unspecified) LC50 inhalation 10gm/m3 (10000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 2300mg/kg (2300mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 unreported 2300mg/kg (2300mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LCLo inhalation 15gm/m3 (15000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 20(8), Pg. 19, 1955.
mouse LD50 intraperitoneal 515mg/kg (515mg/kg)   Pharmacologist. Vol. 10, Pg. 172, 1968.
mouse LD50 oral 2300mg/kg (2300mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 34, 1982.
rabbit LD skin > 2200mg/kg (2200mg/kg)   National Technical Information Service. Vol. AD-A180-198,
rabbit LD50 oral 2250mg/kg (2250mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2B, Pg. 3603, 1981.
rat LC50 inhalation 2965ppm (2965ppm)   National Technical Information Service. Vol. OTS0521601,
rat LD50 intraperitoneal 1655mg/kg (1655mg/kg)   Fundamental and Applied Toxicology. Vol. 5, Pg. 105, 1985.
rat LD50 oral 1110mg/kg (1110mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.