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1,3-Dichlorobenzene

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Name

1,3-Dichlorobenzene

EINECS 208-792-1
CAS No. 541-73-1 Density 1.297 g/cm3
PSA 0.00000 LogP 2.99340
Solubility 0.0123 g/100 mL (25 ºC) in water Melting Point -24 ºC
Formula C6H4Cl2 Boiling Point 180.4 ºC at 760 mmHg
Molecular Weight 147.00 Flash Point 63.3 ºC
Transport Information UN 3082 9/PG 3 Appearance colourless liquid
Safety 61-45-36/37-16-7 Risk Codes 22-51/53-39/23/24/25-11
Molecular Structure Molecular Structure of 541-73-1 (1,3-Dichlorobenzene) Hazard Symbols HarmfulXn,DangerousN,ToxicT,FlammableF
Synonyms

Benzene,m-dichloro- (8CI);2,4-Dichlorobenzene;2,6-Dichlorobenzene;m-Dichlorobenzene;m-Dichlorobenzol;NSC 8754;m-Phenylenedichloride;

 

1,3-Dichlorobenzene Synthetic route

Reaxys ID: 15739021

Reaxys ID: 15739021

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With triethyl phosphate at 50 - 60℃; under 7.50075 - 22.5023 Torr; Product distribution / selectivity;99%
95-94-3

1,2,4,5-tetrachlorobenzene

A

106-46-7

para-dichlorobenzene

B

95-50-1

1,2-dichloro-benzene

C

541-73-1

1,3-Dichlorobenzene

D

71-43-2

benzene

Conditions
ConditionsYield
With potassium hydroxide; hydrogen; palladium on activated charcoal In water at 50℃; for 0.92h; Yields of byproduct given;A n/a
B n/a
C n/a
D 98%

4-chloro-benzene sulphonyl chloride

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
98%
50-84-0

2,4 dichlorobenzoic acid

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With [Au(1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene)(O2CAd)] In toluene at 140℃; for 20h;93%
With silver(I) acetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 16h; Inert atmosphere;74%
With C38H53AuN2O2 at 120℃;
19752-55-7

1-bromo-3,5-dichlorobenzene

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With methanol; gold; hydrogen; caesium carbonate at 100℃; under 3800.26 Torr; for 72h;89%
120-82-1

1,2,4-Trichlorobenzene

A

106-46-7

para-dichlorobenzene

B

95-50-1

1,2-dichloro-benzene

C

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With radical anion of p,p'-di-tert-butylbiphenyl In tetrahydrofuran at -60℃; Product distribution; Rate constant; Mechanism; Irradiation; radical anion of naphthalene, different temperatures;A 87.2%
B 2.79%
C 9.96%
With radical anion of p,p'-di-tert-butylbiphenyl In tetrahydrofuran at -70℃; Irradiation;A 87.7%
B 2.97%
C 9.32%
With radical anion of p,p'-di-tert-butylbiphenyl In tetrahydrofuran at 45℃; Irradiation;A 75.3%
B 9.89%
C 13.7%
19230-28-5

1,3-dichloro-2-iodobenzene

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr;87%
With 2-(2-methoxyethoxy)ethyl alcohol; oxygen; sodium hydride In 1,4-dioxane at 20℃; for 18h; Schlenk technique; chemoselective reaction;73%
With sodium methylate In methanol; dimethyl sulfoxide at 50.1℃; Rate constant;
With potassium cyanide; Pd(PPh2(C6H4-p-SO3K))2Cl2; zinc In n-heptane; water at 100℃; for 1h; Inert atmosphere;38 %Chromat.
With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr; for 44h; Autoclave;87 %Chromat.
50-30-6

2,6-dichlorobenzoic acid

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With silver(I) acetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 16h; Inert atmosphere;76%
With acetamide at 225 - 235℃;
With silver carbonate In dimethylsulfoxide-d6 at 120℃; for 16h; Sealed vessel;96 %Spectr.
With silver carbonate In 1,4-dioxane at 130℃; for 24h;
95-94-3

1,2,4,5-tetrachlorobenzene

A

106-46-7

para-dichlorobenzene

B

108-90-7

chlorobenzene

C

95-50-1

1,2-dichloro-benzene

D

541-73-1

1,3-Dichlorobenzene

E

120-82-1

1,2,4-Trichlorobenzene

F

71-43-2

benzene

Conditions
ConditionsYield
With potassium hydroxide; hydrogen; palladium on activated charcoal In water at 50℃; for 0.5h; Product distribution; Aliquat 336 and other phase-transfer catalysts, different multiphase systems, different time and solvents;A n/a
B 4%
C n/a
D n/a
E 4%
F 73%
With potassium hydroxide; sodium hypophosphite; cetyltributylphosphonium bromide; isobutyric Acid; palladium on activated charcoal In 2,2,4-trimethylpentane at 50℃; for 2h; Product distribution; varying conditions (solvent, aqueous phase, hydrogen source, phase-transfer agent, time), other aromatic halides, competitive hydrodehalogenations;
With potassium hydroxide; hydrogen; palladium on activated charcoal In 2,2,4-trimethylpentane at 50℃; for 0.5h; Product distribution; add. of Aliquat 336, var. phase-transfer cat.; var. base: Ca(OH)2; add. of polyethylene glycol monomethyl ether; add of NaBO3*H2O or KF; var. solv. and time;A n/a
B 4 % Chromat.
C n/a
D n/a
E 4 % Chromat.
F 73 % Chromat.
108-43-0

3-monochlorophenol

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With phenylphosphorus tetrachloride at 160℃;71%
1194-65-6

2,6-dichloro-benzonitrile

phenylmagnesium bromide

A

65231-41-6

2,6-Dichlorbenzophenonimin

B

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
In diethyl ether for 6h; Addition; Heating;A 70%
B 4%
401631-85-4

C10H13Cl2N3

A

19393-92-1

1-bromo-2,6-dichlorobenzene

B

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With hydrogen bromide; copper In acetonitrile at 20 - 25℃; for 0.25h;A 70%
B 15%

C6H4ClN2(1+)*C6H4NO4S2(1-)

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; copper In acetonitrile at 20℃; for 0.75h; Substitution;68%
106-46-7

para-dichlorobenzene

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
at 170℃; for 4h; Temperature; Inert atmosphere;64.7%
With aluminium trichloride at 160℃;
With aluminum (III) chloride; lithium chloride In melt at 170℃; for 4h; Inert atmosphere;
120-82-1

1,2,4-Trichlorobenzene

A

106-46-7

para-dichlorobenzene

B

108-90-7

chlorobenzene

C

95-50-1

1,2-dichloro-benzene

D

541-73-1

1,3-Dichlorobenzene

E

71-43-2

benzene

Conditions
ConditionsYield
With hydrogen; palladium diacetate; sodium hydrogencarbonate In water at 25℃; under 760.051 Torr;A n/a
B 6%
C n/a
D n/a
E 60%
With sodium tetrahydroborate In water; acetonitrile Quantum yield; Product distribution; Irradiation; effect of scavengers and quenchers;A 37 % Chromat.
B 18 % Chromat.
C 2 % Chromat.
D 43 % Chromat.
E 1 % Chromat.
With potassium hydroxide; hydrogen; palladium on activated charcoal In 2,2,4-trimethylpentane at 50℃; for 0.333333h; Product distribution; add. of Aliquat 336, var. cat.: Raney-Ni; var. temp.;A 1 % Chromat.
B 9 % Chromat.
C 7 % Chromat.
D 2 % Chromat.
E 81 % Chromat.
930-69-8

sodium thiophenolate

2,6-dichlorobenzenediazonium o-benzenedisulfonimide

A

882-33-7

diphenyldisulfane

B

sodium o-benzenedisulfonimide

C

(2,6-dichlorophenyl)(phenyl)sulfane

D

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
In methanol at 20 - 25℃; Dimerization; arylthiodediazoniation; hydrodediazoniation;A 40%
B n/a
C 47%
D 35%
106-46-7

para-dichlorobenzene

A

95-50-1

1,2-dichloro-benzene

B

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With aluminum (III) chloride; lithium chloride In melt at 170℃; for 4h; Catalytic behavior; Reagent/catalyst; Time; Autoclave; Inert atmosphere;A n/a
B 45%
With Zeolite β at 339.9℃; under 1 Torr; Mechanism; Thermodynamic data; Product distribution; activation energy; relative rate constants; different temperatures;
ZSM-5 type zeolite at 399.9℃; under 26252.1 Torr; Product distribution; various catalysts; further temperatures;
With aluminum (III) chloride; lithium chloride; sodium chloride at 150℃; for 16.5h; Reagent/catalyst; Temperature;

m-phenylenebisdiazonium tetrafluoroborate

A

1725-76-4

(E,E)-1,3-distyrylbenzene

B

146736-38-1

1-phenyl-1-chloro-2-(3-chlorophenyl)ethane

C

1,3-Bis-(2-chloro-2-phenyl-ethyl)-benzene

D

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With sodium chloride; copper dichloride In acetone at 5 - 50℃;A 7%
B 45%
C n/a
D n/a
141-32-2

acrylic acid n-butyl ester

m-phenylenebisdiazonium tetrafluoroborate

A

2-Chloro-3-(3-chloro-phenyl)-propionic acid butyl ester

B

3-[3-(2-Butoxycarbonyl-2-chloro-ethyl)-phenyl]-2-chloro-propionic acid butyl ester

C

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With sodium chloride; copper dichloride In acetone at 5 - 50℃;A 39%
B n/a
C n/a
81055-73-4

ethyl 2,6-dichlorobenzoate

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With potassium fluoride; 18-crown-6 ether; tetraphenylphosphonium bromide at 210℃; for 3h;37%

m-phenylenebisdiazonium tetrafluoroborate

140-88-5

ethyl acrylate

A

2-Chloro-3-(3-chloro-phenyl)-propionic acid ethyl ester

B

2-Chloro-3-[3-(2-chloro-2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester

C

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With sodium chloride; copper dichloride In acetone at 5 - 50℃;A 36%
B 5%
C n/a

m-phenylenebisdiazonium tetrafluoroborate

107-13-1

acrylonitrile

A

18826-39-6

2-chloro-3-(3-chlorophenyl)propanenitrile

B

2-Chloro-3-[3-(2-chloro-2-cyano-ethyl)-phenyl]-propionitrile

C

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With sodium chloride; copper dichloride In acetone at 5 - 50℃;A 32%
B n/a
C n/a

m-phenylenebisdiazonium tetrafluoroborate

80-62-6

methacrylic acid methyl ester

A

2-Chloro-3-(3-chloro-phenyl)-2-methyl-propionic acid methyl ester

B

2-Chloro-3-[3-(2-chloro-2-methoxycarbonyl-propyl)-phenyl]-2-methyl-propionic acid methyl ester

C

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With sodium chloride; copper dichloride In acetone at 5 - 50℃;A 32%
B 4%
C n/a
36997-05-4

2-methoxyacrylic acid ethyl ester

50-30-6

2,6-dichlorobenzoic acid

A

(Z)-ethyl 3-(2,6-dichlorophenyl)-2-methoxyacrylate

B

diethyl 2,5-dimethoxyhexa-2,4-dienedioate

C

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; silver carbonate In 1,4-dioxane; dimethyl sulfoxide at 130℃; for 24h; Solvent; Sealed tube; Inert atmosphere; stereoselective reaction;A 27%
B n/a
C n/a
108-70-3

1,3,5-trichlorobenzene

67-63-0

isopropyl alcohol

A

67-64-1

acetone

B

541-73-1

1,3-Dichlorobenzene

C

71-43-2

benzene

Conditions
ConditionsYield
With sodium hydroxide; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In water; toluene for 48h; Conversion of starting material; Alkaline conditions; Heating / reflux;A n/a
B 24%
C 36 %Chromat.
With sodium hydroxide; nickel dihydroxide; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In water; toluene for 72h; Conversion of starting material; Alkaline conditions; Heating / reflux;A n/a
B 16%
C 50 %Chromat.
56-23-5

tetrachloromethane

937-14-4

3-chloro-benzenecarboperoxoic acid

A

67-72-1

hexachloroethane

B

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With cyclohexane In 1,2-dichloro-ethane at 65℃; for 24h; Product distribution; Mechanism;A 3.2%
B 15.5%
95-94-3

1,2,4,5-tetrachlorobenzene

A

106-46-7

para-dichlorobenzene

B

95-50-1

1,2-dichloro-benzene

C

541-73-1

1,3-Dichlorobenzene

D

120-82-1

1,2,4-Trichlorobenzene

Conditions
ConditionsYield
With carbon dioxide; tetrabutylammomium bromide In N,N-dimethyl-formamide at -5 - 0℃; Dehalogenation; Electrochemical reaction; Further byproducts given;A 9%
B 1%
C 2%
D 8%
With [2,2]bipyridinyl; nickel dichloride; zinc In water; N,N-dimethyl-formamide at 80℃; for 6h; Title compound not separated from byproducts;A 15.2 % Spectr.
B 5.8 % Spectr.
C 3.9 % Spectr.
D 66.0 % Spectr.
99-65-0

meta-dinitrobenzene

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With chlorine at 220℃; Ausschluss von Wasser und Eisen;
With tetrachloromethane at 260 - 310℃;
With chlorine at 230 - 250℃;
With chlorine at 230℃; Temperature;
108-37-2

1-bromo-3-chlorobenzene

541-73-1

1,3-Dichlorobenzene

Conditions
ConditionsYield
With tetrachloromethane; chlorine Photolysis;
With iron(III) chloride; sodium chloride In acetonitrile for 10h; Irradiation; Green chemistry; regioselective reaction;
71-41-0

pentan-1-ol

541-73-1

1,3-Dichlorobenzene

51241-38-4

m-pentoxychlorobenzene

Conditions
ConditionsYield
With potassium hydroxide; PEG-6000 at 150℃; for 6h;100%
541-73-1

1,3-Dichlorobenzene

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;100%
With Ni[1,10-phenanthroline]2(PF6)2; water; zinc at 70℃; for 7h; Ionic liquid;46%
With Ni-Al clusters In tetrahydrofuran for 1.5h; Dehalogenation; reduction; hydrogenolysis; dechlorination; Heating;
392-85-8

1-fluoro-2-trifluoromethylbenzene

541-73-1

1,3-Dichlorobenzene

917751-97-4

2,4-dichloro-1-[dichloro-(2-fluorophenyl)methyl]benzene

Conditions
ConditionsYield
With aluminum (III) chloride In 1,2-dichloro-ethane at 0 - 5℃; for 3h;100%
With aluminium trichloride In 1,2-dichloro-ethane at 0℃; for 3h; Friedel-Crafts alkylation;92.4%
15890-72-9

laurylmagnesium bromide

541-73-1

1,3-Dichlorobenzene

52066-87-2

1,3-Didodecyl-benzol

Conditions
ConditionsYield
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether; hexane at 50℃; Kumada Cross-Coupling; Inert atmosphere; Schlenk technique;100%
124-40-3

dimethyl amine

541-73-1

1,3-Dichlorobenzene

22440-93-3

N,N,N',N'-tetramethyl-m-phenylenediamine

Conditions
ConditionsYield
With (R)-1-[(SP)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; palladium dichloride; lithium hexamethyldisilazane In tetrahydrofuran; 1,2-dimethoxyethane at 0 - 20℃; for 16h; Inert atmosphere; Glovebox;99.9%
With C8H11N*C33H50ClPPd; lithium hexamethyldisilazane In tetrahydrofuran at 0 - 20℃; Inert atmosphere;94%
With phenyllithium In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;
1873-88-7

1,1,1,3,5,5,5-heptamethyltrisiloxan

541-73-1

1,3-Dichlorobenzene

1,1,1,3,5,5,5-heptamethyl-3-(3,5-dichlorophenyl)trisiloxane

Conditions
ConditionsYield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 2.9-dimethyl-1,10-phenanthroline In 1,4-dioxane at 100℃; for 6h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Sealed tube; regioselective reaction;99%
With IrH3{κ3-P,O,P-[9,9-dimethyl-4,5-bis(diisopropylphosphino)xanthene]} In cyclohexene at 110℃; for 18h; Inert atmosphere; Glovebox;94%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 2,4,7-trimethyl-1,10-phenanthroline In tetrahydrofuran at 120℃; for 40h; Inert atmosphere; Sealed tube;66%
541-73-1

1,3-Dichlorobenzene

1193-72-2

1-bromo-2,4-dichlorobenzene

Conditions
ConditionsYield
With bromine; iron(III) chloride98.5%
With methanesulfonic acid; monobromoisocynaurate In diethyl ether for 6h; Heating;65%
541-73-1

1,3-Dichlorobenzene

19230-28-5

1,3-dichloro-2-iodobenzene

Conditions
ConditionsYield
Stage #1: 1,3-Dichlorobenzene With n-butyllithium In tetrahydrofuran; hexane at -75℃; for 2h;
Stage #2: With iodine In tetrahydrofuran; hexane
98%
Stage #1: 1,3-Dichlorobenzene With sodium; diisopropylamine; isoprene In tetrahydrofuran at -20℃; for 0.000138889h; Flow reactor;
Stage #2: With iodine In tetrahydrofuran Temperature; Flow reactor;
84%
Stage #1: 1,3-Dichlorobenzene With Li(2,2,6,6-tetramethylpiperidide)*Al(iBu)3 In tetrahydrofuran; hexane at -78℃; for 12h;
Stage #2: With iodine In tetrahydrofuran; hexane at 0℃; for 1h;
74%
86-74-8

9H-carbazole

541-73-1

1,3-Dichlorobenzene

1,3-bis(9H-carbazol-9-yl)benzene

Conditions
ConditionsYield
Stage #1: 9H-carbazole With methylmagnesium chloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene for 0.25h; Inert atmosphere; Schlenk technique;
Stage #2: 1,3-Dichlorobenzene With [2,6-bis(2,4,6-triisopropylphenyl)phenyl(dicyclohexylphosphine)](allyl-η3)palladium(II) chloride; 2,6-bis(2,4,6-triisopropylphenyl)phenyl(dicyclohexylphosphine) In 5,5-dimethyl-1,3-cyclohexadiene at 145℃; for 3h; Reagent/catalyst; Temperature; Glovebox; Schlenk technique; Inert atmosphere;
98%
Stage #1: 9H-carbazole With methylmagnesium chloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 5 - 20℃; for 0.166667h; Inert atmosphere;
Stage #2: 1,3-Dichlorobenzene With PdCl(π-allyl)(cyclohexyl-(1-methyl-2,2-diphenylcyclopropylphophine)) In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 108 - 112℃; for 0.25h; Inert atmosphere;
97%
With di-tert-butyl(2,2-diphenyl-1-methyl-1-cyclopropyl)phosphine; bis(η3-allyl-μ-chloropalladium(II)); methylmagnesium chloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 5℃; Buchwald-Hartwig Coupling; Inert atmosphere; Reflux;96.8%
108-24-7

acetic anhydride

541-73-1

1,3-Dichlorobenzene

2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

Conditions
ConditionsYield
With aluminum (III) chloride at 40 - 55℃;97.9%
Stage #1: acetic anhydride; 1,3-Dichlorobenzene With aluminum (III) chloride at 40 - 55℃; under 637.564 Torr;
Stage #2: With hydrogenchloride In water
95%
With aluminum (III) chloride at 50℃; for 4h; Reagent/catalyst; Temperature;70.9%
Stage #1: acetic anhydride With aluminum (III) chloride In 1,2-dichloro-benzene for 0.333333h;
Stage #2: 1,3-Dichlorobenzene With hydrogenchloride In water; 1,2-dichloro-benzene Cooling with ice;
55.46%
With hydrogenchloride; aluminum (III) chloride; calcium chloride In water for 0.833333h;55.46%
541-73-1

1,3-Dichlorobenzene

611-06-3

2,4-dichloronitrobenzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 10 - 15℃; for 3h; Temperature;97.2%
With sulfuric acid; nitric acid at 60℃; for 1h;95.4%
With nitric acid; acetic anhydride In tetrachloromethane65.3%
108-30-5

succinic acid anhydride

541-73-1

1,3-Dichlorobenzene

58457-57-1

4-(2,4-dichlorophenyl)-4-oxobutanoic acid

Conditions
ConditionsYield
With aluminium trichloride at 80℃; for 1h;96%
With aluminium trichloride
75-36-5

acetyl chloride

541-73-1

1,3-Dichlorobenzene

2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

Conditions
ConditionsYield
at 60℃; for 4h; Ionic liquid; Green chemistry;96%
at 60℃; for 4h; Temperature; Ionic liquid;96%
With aluminium trichloride
124-38-9

carbon dioxide

541-73-1

1,3-Dichlorobenzene

50-30-6

2,6-dichlorobenzoic acid

Conditions
ConditionsYield
Stage #1: carbon dioxide With AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); potassium hydroxide In tetrahydrofuran at 20℃; under 1125.11 Torr; for 0.25h;
Stage #2: 1,3-Dichlorobenzene In tetrahydrofuran at 20℃; under 1125.11 Torr; for 12h;
Stage #3: With hydrogenchloride In tetrahydrofuran; water regioselective reaction;
96%
With n-butyllithium In tetrahydrofuran; hexane for 0.75h; cooling;95%
Stage #1: 1,3-Dichlorobenzene With n-butyllithium In tetrahydrofuran at -75℃; for 2h;
Stage #2: carbon dioxide In tetrahydrofuran
95%
Stage #1: 1,3-Dichlorobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.75h; Inert atmosphere;
Stage #2: carbon dioxide In tetrahydrofuran; hexane at -78℃; for 0.166667h; Inert atmosphere;
437 mg
615-37-2

ortho-methylphenyl iodide

541-73-1

1,3-Dichlorobenzene

2,6-dichloro-2'-methyl-1,1'-biphenyl

Conditions
ConditionsYield
Stage #1: 1,3-Dichlorobenzene With n-butyllithium
Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at 0 - 20℃;
Stage #3: ortho-methylphenyl iodide With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 10h; Negishi coupling reaction; Inert atmosphere; Reflux;
96%
100-58-3

phenylmagnesium bromide

541-73-1

1,3-Dichlorobenzene

2051-61-8

m-chlorobiphenyl

Conditions
ConditionsYield
With Ni(N,N'-bis(diphenylphosphino)-1,3-benzenediamine(-1H))Cl In tetrahydrofuran at 40℃; for 18h; Kumada Cross-Coupling; Schlenk technique; Inert atmosphere;95.7%
100-52-7

benzaldehyde

541-73-1

1,3-Dichlorobenzene

22543-77-7

(2,6-dichlorophenyl)(phenyl)methanol

Conditions
ConditionsYield
Stage #1: 1,3-Dichlorobenzene With sodium; diisopropylamine; isoprene In tetrahydrofuran at -20℃; for 0.000138889h; Flow reactor;
Stage #2: benzaldehyde In tetrahydrofuran Flow reactor;
95%
With n-butyllithium 1.) hexane,THF, -65 to -70 deg C, 45 min, 2.) THF, -70 deg C, 45 min; Yield given. Multistep reaction;
73183-34-3

bis(pinacol)diborane

541-73-1

1,3-Dichlorobenzene

68716-51-8

2-(3,5-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions
ConditionsYield
Stage #1: bis(pinacol)diborane With C24H28ClIrN2O In n-heptane; isopropyl alcohol at 75℃; for 1h; Sealed tube; Inert atmosphere;
Stage #2: 1,3-Dichlorobenzene In n-heptane; isopropyl alcohol Sealed tube; Inert atmosphere;
95%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tert-butyl methyl ether at 80℃; for 1h; Microwave irradiation;94%
With [Ir(OMe)(1,5-cyclooctadiene)]2; C88H164N2 In n-heptane at 25℃; for 18h; Inert atmosphere;84%
25015-63-8

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

541-73-1

1,3-Dichlorobenzene

68716-51-8

2-(3,5-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions
ConditionsYield
With IrH2(Bpin){κ3-P,O,P-[9,9-dimethyl-4,5-bis(diisopropylphosphino)xanthene]}; cyclohexene at 110℃; for 18h; Inert atmosphere; Glovebox;95%
With iridium-bipyridine periodic mesoporous organosilica In cyclohexane at 80℃; for 12h; Inert atmosphere; Schlenk technique;94%
With 4,4'-di-tert-butyl-2,2'-bipyridine; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In hexane at 25℃; for 8h;86%

bis(2,2,6,6-tetramethylpiperidin-1-yl)magnesium-bis(lithium chloride) complex

541-73-1

1,3-Dichlorobenzene

C15H21Cl2MgN

Conditions
ConditionsYield
In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Schlenk technique; regioselective reaction;95%
31600-86-9

2-methoxyphenyllithium

541-73-1

1,3-Dichlorobenzene

103068-14-0

2,2”-dimethoxy-1,1’:3’,1”-terphenyl

Conditions
ConditionsYield
In diethyl ether for 15h; Ambient temperature;94%
61676-62-8

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

541-73-1

1,3-Dichlorobenzene

69807-92-7

2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions
ConditionsYield
With bis(2,2,6,6-tetramethylpiperidin-1-yl)magnesium-bis(lithium chloride) complex In tetrahydrofuran at 0 - 25℃; for 2h; Inert atmosphere; Schlenk technique;94%
15529-90-5

(triethylphosphine)chlorogold(I)

541-73-1

1,3-Dichlorobenzene

2,6-dichlorophenyl(triethylphosphine)gold(I)

Conditions
ConditionsYield
With sodium t-butanolate In N,N-dimethyl-formamide at 50℃; for 15h;94%
With potassium tert-butylate In neat (no solvent) for 1.5h; Reagent/catalyst; Time; Milling;92%
617-86-7

triethylsilane

541-73-1

1,3-Dichlorobenzene

(3,5-dichlorophenyl)triethylsilane

Conditions
ConditionsYield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; tert-butylethylene; 3,4,7,8-Tetramethyl-o-phenanthrolin In cyclohexane at 100℃; for 4h; Time; Inert atmosphere; Sealed tube; chemoselective reaction;94%
79-04-9

chloroacetyl chloride

541-73-1

1,3-Dichlorobenzene

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With aluminum (III) chloride at 30℃; for 3h; Friedel-Crafts Acylation;93.1%
With aluminum (III) chloride In dichloromethane at 20℃;90%
With aluminum (III) chloride In dichloromethane for 3h; Reflux;86%
13139-86-1

4-methoxyphenyl magnesium bromide

541-73-1

1,3-Dichlorobenzene

1568-74-7

4,4’’-dimethoxy-1,1′:3′,1’’-terphenyl

Conditions
ConditionsYield
With C20H23BrN4Ni In tetrahydrofuran at 25℃; for 24h; Kumada Cross-Coupling; Inert atmosphere;93%
Stage #1: 1,3-Dichlorobenzene With Ni(PPh3)(1,3-di-tert-butylimidazol-2-ylidene)Br2 In tetrahydrofuran at 0℃; for 0.0333333h; Inert atmosphere; Schlenk technique;
Stage #2: 4-methoxyphenyl magnesium bromide In tetrahydrofuran at 0 - 25℃; for 5h; Inert atmosphere; Schlenk technique;
79%

1,3-Dichlorobenzene Specification

The 1,3-Dichlorobenzene, with the CAS registry number 541-73-1, is also known as m-Dichlorobenzene. It belongs to the product categories of Chlorobenzene Series; Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Alphabetic; Pesticides & Metabolites; Alpha Sort; D; DAlphabetic; DIA - DIC; Volatiles/ Semivolatiles; Aryl; C6; Halogenated Hydrocarbons. Its EINECS registry number is 208-792-1. This chemical's molecular formula is C6H4Cl2 and molecular weight is 147.00. What's more, its IUPAC name is the same with its product name.

Physical properties about 1,3-Dichlorobenzene are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 234.33; (6)ACD/BCF (pH 7.4): 234.33; (7)ACD/KOC (pH 5.5): 1729.53; (8)ACD/KOC (pH 7.4): 1729.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 36.04 cm3; (15)Molar Volume: 113.3 cm3; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 1.297 g/cm3; (18)Flash Point: 63.3 °C; (19)Enthalpy of Vaporization: 39.96 kJ/mol; (20)Boiling Point: 180.4 °C at 760 mmHg; (21)Vapour Pressure: 1.22 mmHg at 25 °C.

Preparation of 1,3-Dichlorobenzene: this chemical can be prepared by 3-Chloro-phenol. This reaction needs reagent phenylphosphorus tetrachloride at temperature of 160 °C. The yield is 71 %.

1,3-Dichlorobenzene can be prepared by 3-Chloro-phenol.

Uses of 1,3-Dichlorobenzene: (1) it is used as an intermediate of pharmaceutical, pesticide and dye industries; (2) it is used to produce other chemicals. For example, it can react with Phenyllithium to get m-Terphenyl. The reaction occurs with solvent diethyl ether at ambient temperature for 14 hours. The yield is 85 %.

1,3-Dichlorobenzene can react with phenyllithium to get m-Terphenyl.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and present an immediate or delayed danger to one or more components of the environment. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In addition, it has serious irreversible effects through inhalation, in contact with skin and if swallowed. The production is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should keep container tightly closed and you should wear suitable protective clothing and gloves. What's more, you must keep away from sources of ignition and avoid releasing 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) SMILES: Clc1cccc(Cl)c1
(2) InChI: InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
(3) InChIKey: ZPQOPVIELGIULI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1062mg/kg (1062mg/kg)   Mutagenesis. Vol. 2, Pg. 111, 1987.
 

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