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Benzotrifluoride
Cas No: 98-08-8
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Factory Supply α,α,α-trifluorotoluene
Cas No: 98-08-8
No Data 1 1 Ality Chemical Corporation Contact Supplier
trifluoromethylbenzene
Cas No: 98-08-8
No Data 10 Milligram Amadis Chemical Co., Ltd. Contact Supplier
Benzotrifluoride
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Benzotrifluoride
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98-08-8 Usage

Uses

In dye chemistry; in the manufacture of substituted benzotrifluorides contg an ethylenic group, used in high polymer chemistry; in dielectric fluids, such as transformer oils.

Safety Profile

Poison by intraperitoneal route.Moderately toxic by subcutaneous route. Dangerous fire hazard. To fight fire, usewater, foam, CO2, spray mist, dry chemical. When heatedto decomposition it emits toxic fumes of F??. Incompatiblewith oxidizing materials

Hazard

Highly toxic by inhalation. Flammable, dangerous fire risk.

General Description

A clear colorless liquid with an aromatic odor. Flash point of 54°F. Vapors are heavier than air. Insoluble in water and slightly denser than water. May be toxic by inhalation.

Reactivity Profile

Benzotrifluoride may react with oxidizing materials, strong bases and reducing agents.

Chemical Properties

Clear colourless to light yellow liquid

Uses

An alternative solvent to dichloromethane

Synthesis Reference(s)

Synthesis, p. 932, 1980 DOI: 10.1055/s-1980-29276

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Purification Methods

Purify benzotrifluoride by repeated treatment with boiling aqueous Na2CO3 (until no test for chloride ion is obtained), dry it with K2CO3, then with P2O5, and fractionally distil it. [Beilstein 5 IV 802.]

Air & Water Reactions

Highly flammable. Insoluble in water.

Definition

ChEBI: A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group.
InChI:InChI=1/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

98-08-8 Well-known Company Product Price

Brand (Code)Product description CAS number Packaging Price Detail
Supelco (47582-U)  α,α,α-Trifluorotoluenesolution  certified reference material, 10,000 μg/mL in methanol 98-08-8 47582-U 449.28CNY Detail
Sigma-Aldrich (547948)  α,α,α-Trifluorotoluene  anhydrous, ≥99% 98-08-8 547948-100ML 413.01CNY Detail
Sigma-Aldrich (547948)  α,α,α-Trifluorotoluene  anhydrous, ≥99% 98-08-8 547948-1L 833.04CNY Detail
Sigma-Aldrich (547948)  α,α,α-Trifluorotoluene  anhydrous, ≥99% 98-08-8 547948-2L 1,240.20CNY Detail
Aldrich (612685)  α,α,α-Trifluorotoluenesolution  NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D), NMR tube size 3 mm × 8 in. 98-08-8 612685-1EA 2,208.96CNY Detail
Aldrich (551406)  α,α,α-Trifluorotoluenesolution  NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D) 98-08-8 551406-8IN 1,645.02CNY Detail
Aldrich (733806)  α,α,α-Trifluorotoluenesolution  NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D), NMR tube size 10 mm × 8 in. 98-08-8 733806-8IN 2,700.36CNY Detail
Aldrich (736120)  α,α,α-Trifluorotoluenesolution  NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D), NMR tube size 5 mm × 8 in. 98-08-8 736120-8IN 2,478.06CNY Detail
Aldrich (761427)  α,α,α-Trifluorotoluenesolution  NMR reference standard, 0.05% in chloroform-d ("100%", 99.96 atom % D), NMR tube size 5 mm × 8 in. 98-08-8 761427-8IN 1,848.60CNY Detail
Supelco (48389)  α,α,α-Trifluorotoluenesolution  certified reference material, 2000 μg/mL in methanol 98-08-8 000000000000048389 308.88CNY Detail

98-08-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names Triflorotoluene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:98-08-8 SDS

98-08-8Synthetic route

Benzotrichlorid
98-07-7

Benzotrichlorid

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
In polyethylene100%
In polyethylene100%
In polyethylene98.5%
cis-(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)phenyl(trifluoromethyl)palladium(II)
913653-92-6, 913744-90-8

cis-(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)phenyl(trifluoromethyl)palladium(II)

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In benzene at 50 - 80℃; Kinetics;100%
[Ru(η6-α,α,α-trifluorotoluene)(η5-cyclopentadienyl)]PF6

[Ru(η6-α,α,α-trifluorotoluene)(η5-cyclopentadienyl)]PF6

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
In [D3]acetonitrile at 20℃; for 27h; Irradiation;100%
4-chlorobenzotrifluoride
98-56-6

4-chlorobenzotrifluoride

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With C60H48BP3Pd; potassium formate; [2.2.2]cryptande In tetrahydrofuran at 60℃; for 72h; Schlenk technique; Inert atmosphere;99%
With Ni-Al clusters In tetrahydrofuran for 1h; Dehalogenation; reduction; hydrogenolysis; dechlorination; Heating;98%
With isopropyl alcohol In N,N-dimethyl-formamide at 20℃; for 36h; UV-irradiation; chemoselective reaction;80%
C29H41F3FeP2Pd

C29H41F3FeP2Pd

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With 1,1'-bis(diisopropylphosphino)ferrocene; 1-trifluoromethoxybenzene In para-xylene at 130℃; for 24h; Inert atmosphere;99%
benzoic acid
65-85-0

benzoic acid

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With pyridine; phenylsulphur trifluoride; hydrogen fluoride at 50℃; for 24h; Product distribution / selectivity; Neat (no solvent);95%
With 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride at 20 - 100℃; for 2h; sealed tube;89%
With 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride at 20 - 100℃; for 2h; Reactivity;88%
n-pentanethiol
110-66-7

n-pentanethiol

p-trifluoromethylphenyl bromide
402-43-7

p-trifluoromethylphenyl bromide

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

C12H15F3S

C12H15F3S

Conditions
ConditionsYield
With [(C6H3(OP(i-Pr)2)2)RhHCl]; sodium t-butanolate In toluene at 110℃; for 3h; Sealed tube; Inert atmosphere;A 10 %Spectr.
B 94%
iodobenzene
591-50-4

iodobenzene

2,2-difluoro-2-(fluorosulfonyl)acetate
680-15-9

2,2-difluoro-2-(fluorosulfonyl)acetate

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With potassium iodide In N,N-dimethyl-formamide at 70℃; for 2.5h;93%
With copper In N,N-dimethyl-formamide at 65℃; for 4h; Mechanism; other substrates, other times, other temperatures, also in the presence of O2 or p-dinitrobenzene, also inthe darkness, also in absence of alkylhalides;84%
With copper(l) iodide In N,N-dimethyl-formamide at 70℃; for 2.5h; Mechanism; var. solvent, temp., time;84%
With copper In N,N-dimethyl-formamide at 65℃; for 4h;84%
With copper(l) iodide In various solvent(s) at 55℃; for 8h;70%
benzoyl chloride
98-88-4

benzoyl chloride

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With pyridine; phenylsulphur trifluoride; hydrogen fluoride at 50℃; for 24h; Product distribution / selectivity; Neat (no solvent);93%
tetrachloromethane
56-23-5

tetrachloromethane

benzene
71-43-2

benzene

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With hydrogen fluoride at 100℃; for 5h;92%
With hydrogen fluoride
Triethoxysilane
998-30-1

Triethoxysilane

m-trifluoromethylphenyl iodide
401-81-0

m-trifluoromethylphenyl iodide

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

triethoxy(3-(trifluoromethyl)phenyl)silane
310-17-8

triethoxy(3-(trifluoromethyl)phenyl)silane

Conditions
ConditionsYield
With triethylamine; acetylacetonato(1,5-cyclooctadiene)rhodium(I) In N,N-dimethyl-formamide at 80℃; for 2h;A n/a
B 92%
iodobenzene
591-50-4

iodobenzene

potassium trimethoxy(trifluoromethyl)boranuide

potassium trimethoxy(trifluoromethyl)boranuide

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With copper(l) iodide; 1,10-Phenanthroline In dimethyl sulfoxide at 60℃; for 16h; Inert atmosphere;91%
tri(n-butyl)(2-methyl-naphth-1-yl)stannane
110907-55-6

tri(n-butyl)(2-methyl-naphth-1-yl)stannane

4-Iodobenzotrifluoride
455-13-0

4-Iodobenzotrifluoride

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

C18H13F3
1254105-11-7

C18H13F3

Conditions
ConditionsYield
With PdCl2(AsPh3)2; (triphenylarsine)gold(I) chloride; triphenyl-arsane; lithium chloride In acetonitrile at 80℃; for 24h; Stille Cross Coupling; Inert atmosphere;A 6%
B 90%
3-bromo-1-trifluoromethylbenzene
401-78-5

3-bromo-1-trifluoromethylbenzene

Triethoxysilane
998-30-1

Triethoxysilane

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

triethoxy(3-(trifluoromethyl)phenyl)silane
310-17-8

triethoxy(3-(trifluoromethyl)phenyl)silane

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; triethylamine; acetylacetonato(1,5-cyclooctadiene)rhodium(I) In N,N-dimethyl-formamide at 80℃; for 2h;A n/a
B 89%
C41H33F3FeP2Pd

C41H33F3FeP2Pd

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; 1-trifluoromethoxybenzene at 130℃; for 36h; Inert atmosphere;89%
iodobenzene
591-50-4

iodobenzene

metyhyl chlorodifluoroacetate
1514-87-0

metyhyl chlorodifluoroacetate

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 120℃; for 8h; Product distribution; other methyl halodifluoroacetates, var. organic halides, var. temp., var. time;88%
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 100 - 120℃; for 8h;88%
With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; potassium fluoride; copper(l) iodide at 120℃; for 4h;62%
iodobenzene
591-50-4

iodobenzene

metyhyl chlorodifluoroacetate
1514-87-0

metyhyl chlorodifluoroacetate

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

methyl iodide
74-88-4

methyl iodide

Conditions
ConditionsYield
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 100 - 120℃; for 8h; Product distribution; Mechanism; other solvent; other organic halides;A 88%
B n/a
o-trifluoromethylphenyl bromide
392-83-6

o-trifluoromethylphenyl bromide

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With Triethoxysilane; C20H24N4Ni; sodium t-butanolate In toluene at 80℃; for 8h; Kumada Cross-Coupling; Inert atmosphere; Schlenk technique;87%
Stage #1: o-trifluoromethylphenyl bromide With chloro-trimethyl-silane; ethylene dibromide; lithium chloride; zinc In tetrahydrofuran at 20℃; Inert atmosphere;
Stage #2: With water; ammonium chloride In tetrahydrofuran Inert atmosphere; regioselective reaction;
93 %Chromat.
With 1,2,3,4-tetrakis(carbazol-9-yl)-5,6-dicyanobenzene; triethylamine In 1-methyl-pyrrolidin-2-one at 20℃; for 1h; Inert atmosphere; Irradiation;45 %Chromat.
With methyl phenylphosphinate; tetrabutylammomium bromide; tetra-(n-butyl)ammonium iodide; ethylene dibromide; triethylamine In N,N-dimethyl-formamide; acetonitrile at 20℃; Electrochemical reaction;
trimethyl(4-trifluoromethylphenyl)silane
312-75-4

trimethyl(4-trifluoromethylphenyl)silane

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With potassium trimethylsilonate In dimethyl sulfoxide at 60℃; under 760.051 Torr; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; Sealed tube;87%
p-trifluoromethylphenyl bromide
402-43-7

p-trifluoromethylphenyl bromide

A

(4-(trifluoromethyl)phenyl)zinc(II) bromide
198345-82-3

(4-(trifluoromethyl)phenyl)zinc(II) bromide

B

4,4'-bis(trifluoromethyl)biphenyl
581-80-6

4,4'-bis(trifluoromethyl)biphenyl

C

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With trifluoroacetic acid; cobalt(II) bromide; zinc dibromide In acetonitrile the mixt. in CH3CN was stirred at room temp., then arylbromide was added, stirred at room temp.; GC analysis;A 86%
B 10%
C 4%
methyl dithiobenzoate
2168-78-7

methyl dithiobenzoate

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With phenylsulphur trifluoride at 70℃; for 22h; Product distribution / selectivity; Neat (no solvent);85%
With trans-phenylsulfur chlorotetrafluoride In dichloromethane at 20℃; for 40h; Product distribution / selectivity;
With phenyltetrafluoro-λ6-sulfanyl chloride In dichloromethane at 20℃; for 20h; Inert atmosphere;99 %Spectr.
carbon dioxide
124-38-9

carbon dioxide

p-trifluoromethylphenyl bromide
402-43-7

p-trifluoromethylphenyl bromide

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 10h; Ambient temperature; electrochemically;A 2.4 mmol
B 84%
carbon monoxide
201230-82-2

carbon monoxide

A

4-Trifluoromethylbenzaldehyde
455-19-6

4-Trifluoromethylbenzaldehyde

B

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
Stage #1: p-trifluoromethylphenyl bromide With triethylamine; catacxium A; palladium diacetate In tolulene
Stage #2: carbon monoxide With hydrogen In toluene at 100℃; under 7500.75 Torr; for 4h; Product distribution / selectivity;
A 84%
B 3%
Stage #1: p-trifluoromethylphenyl bromide With caesium carbonate; catacxium A; palladium diacetate In tolulene
Stage #2: carbon monoxide With hydrogen In toluene at 100℃; under 7500.75 Torr; for 4h; Product distribution / selectivity;
A 83%
B 8%
Stage #1: p-trifluoromethylphenyl bromide With 1,4-diaza-bicyclo[2.2.2]octane; catacxium A; palladium diacetate In 1-methyl-pyrrolidin-2-one
Stage #2: carbon monoxide With hydrogen In 1-methyl-pyrrolidin-2-one at 100℃; under 7500.75 Torr; for 4h; Product distribution / selectivity;
A 82%
B 7%
iodobenzene
591-50-4

iodobenzene

(trifluoromethyl)trimethylsilane
81290-20-2

(trifluoromethyl)trimethylsilane

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
Stage #1: (trifluoromethyl)trimethylsilane With silver fluoride In N,N-dimethyl-formamide at 20℃; for 0.333333h;
Stage #2: With copper In N,N-dimethyl-formamide for 4h;
Stage #3: iodobenzene In N,N-dimethyl-formamide at 90℃; for 5h;
84%
With C13H27CuN2O(1+) In N,N-dimethyl-formamide at 25℃; for 112h;94 %Spectr.
Stage #1: (trifluoromethyl)trimethylsilane With copper(l) iodide; cesium fluoride In N,N-dimethyl-formamide at 20℃; for 0.333333h;
Stage #2: iodobenzene In N,N-dimethyl-formamide at 20℃; for 30h;
4-chlorobenzotrifluoride
98-56-6

4-chlorobenzotrifluoride

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
25015-63-8

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

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

4-trifluoromethylphenylboronic acid pinacol ester
214360-65-3

4-trifluoromethylphenylboronic acid pinacol ester

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; triethylamine; bis(dibenzylideneacetone)-palladium(0); 2,2'-bis(di-tert-butylphosphino)diphenyl ether In 1,4-dioxane at 100℃; for 24h;A n/a
B 84%
4-Iodobenzotrifluoride
455-13-0

4-Iodobenzotrifluoride

tri-n-butyl(mesityl)stannane
68971-91-5

tri-n-butyl(mesityl)stannane

A

4,4'-bis(trifluoromethyl)biphenyl
581-80-6

4,4'-bis(trifluoromethyl)biphenyl

B

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

C

2,4,6-trimethyl-4'-(trifluoromethyl)-1,1'-biphenyl
66818-57-3

2,4,6-trimethyl-4'-(trifluoromethyl)-1,1'-biphenyl

Conditions
ConditionsYield
With PdCl2(AsPh3)2; (triphenylarsine)gold(I) chloride; triphenyl-arsane; lithium chloride In acetonitrile at 80℃; for 24h; Reagent/catalyst; Stille Cross Coupling; Inert atmosphere;A 8%
B 6%
C 84%
With bis-triphenylphosphine-palladium(II) chloride; (triphenylarsine)gold(I) chloride; triphenyl-arsane; lithium chloride In acetonitrile at 80℃; for 84h;
4-Iodobenzotrifluoride
455-13-0

4-Iodobenzotrifluoride

tributylphenylstannane
960-16-7

tributylphenylstannane

A

4,4'-bis(trifluoromethyl)biphenyl
581-80-6

4,4'-bis(trifluoromethyl)biphenyl

B

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

C

1-phenyl-4-(trifluoromethyl)benzene
398-36-7

1-phenyl-4-(trifluoromethyl)benzene

Conditions
ConditionsYield
With PdCl2(AsPh3)2; (triphenylarsine)gold(I) chloride; triphenyl-arsane; lithium chloride In acetonitrile at 80℃; for 5h; Stille Cross Coupling; Inert atmosphere;A 7%
B 10%
C 83%
Langlois reagent
2926-29-6

Langlois reagent

aniline
62-53-3

aniline

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
Stage #1: aniline With hydrogenchloride; sodium nitrite In water at 0 - 20℃; for 0.333333h;
Stage #2: Langlois reagent With tert.-butylhydroperoxide; sodium hydrogencarbonate; copper(l) chloride In water; acetonitrile at 20℃; for 20h;
83%
2-(trifluoromethyl)phenylboronic acid
1423-27-4

2-(trifluoromethyl)phenylboronic acid

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With sodium hypochlorite; tetrabutylammomium bromide; water at 100℃;83%
iodobenzene
591-50-4

iodobenzene

iodotrifluoromethane
2314-97-8

iodotrifluoromethane

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Conditions
ConditionsYield
With zinc; bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran for 0.5h; ultrasound;82%
With pyridine; copper at 140℃; for 20h; Yield given;
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

α,α,α-triiodotoluene

α,α,α-triiodotoluene

Conditions
ConditionsYield
With hafnium(IV) iodide for 5h; Reagent/catalyst; Glovebox; Inert atmosphere;100%
With aluminium(III) iodide In chlorobenzene at 80℃; for 21h;
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

C84H104B2Fe2N14

C84H104B2Fe2N14

C49H57BF3FeN6

C49H57BF3FeN6

Conditions
ConditionsYield
Inert atmosphere;99%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

o-trifluoromethylphenyl bromide
392-83-6

o-trifluoromethylphenyl bromide

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; sulfuric acid; potassium bromide; copper(I) bromide at 20℃; for 8h; Reagent/catalyst;98.7%
With n-butyllithium; diethyl ether anschliessendes Einleiten von mit Stickstoff verduenntem Brom-Dampf;
cis-[Rh(cyclooctene)(PiPr3)(acetone)2]PF6
303009-58-7

cis-[Rh(cyclooctene)(PiPr3)(acetone)2]PF6

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

[(η6-C6H5CF3)Rh(cyclooctene)(PiPr3)]PF6
311817-62-6

[(η6-C6H5CF3)Rh(cyclooctene)(PiPr3)]PF6

Conditions
ConditionsYield
In neat (no solvent) a few s under Ar at room temp.; ppt. washed wiyh pentane and dried; elem. anal.;98%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

Benzotrichlorid
98-07-7

Benzotrichlorid

Conditions
ConditionsYield
With aluminum (III) chloride In hexane; 1,2-dichloro-ethane at -78℃; for 24h; Inert atmosphere;98%
With aluminum (III) chloride; tetrachlorosilane at 80℃; for 20h; Reagent/catalyst;94%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

tert-butyl (R)-(2-((3,5-Difluoro-4-(trimethylsilyl)phenyl)amino)-1-(4-methoxyphenyl)-2-oxoethyl)(methyl)carbamate

tert-butyl (R)-(2-((3,5-Difluoro-4-(trimethylsilyl)phenyl)amino)-1-(4-methoxyphenyl)-2-oxoethyl)(methyl)carbamate

N-(3,5-difluoro-4-(trimethylsilyl)phenyl)-2-(4-methoxyphenyl)-2-(methylamino)acetamide

N-(3,5-difluoro-4-(trimethylsilyl)phenyl)-2-(4-methoxyphenyl)-2-(methylamino)acetamide

Conditions
ConditionsYield
With trifluoroacetic acid at 20℃; for 0.05h;98%
2-(4-methoxyphenyl)-4,4-dimethyl-2-oxazoline
53416-46-9

2-(4-methoxyphenyl)-4,4-dimethyl-2-oxazoline

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

1-halo-3-(trifluoromethyl)benzene

1-halo-3-(trifluoromethyl)benzene

C19H18F3NO2

C19H18F3NO2

Conditions
ConditionsYield
Stage #1: 2-(4-methoxyphenyl)-4,4-dimethyl-2-oxazoline With di-sec-butylmagnesium In toluene at 40℃; for 0.166667h;
Stage #2: α,α,α-trifluorotoluene; 1-halo-3-(trifluoromethyl)benzene With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; zinc(II) chloride regioselective reaction;
98%
bis(benzonitrile)palladium(II) dichloride
15617-18-2, 39958-10-6, 14220-64-5

bis(benzonitrile)palladium(II) dichloride

CH2(C2H4P(C2H4(CF2)7CF3)2)2

CH2(C2H4P(C2H4(CF2)7CF3)2)2

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

trans,trans-Cl2Pd[(CF3(CF2)7CH2CH2)2P(CH2)5P(CH2CH2(CF2)7CF3)2]2PdCl2*2CF3C6H5

trans,trans-Cl2Pd[(CF3(CF2)7CH2CH2)2P(CH2)5P(CH2CH2(CF2)7CF3)2]2PdCl2*2CF3C6H5

Conditions
ConditionsYield
In further solvent(s) (N2); stirred for 4 h in CF3C6H5; evapd. (vac.), extd. (hot THF), evapd. (vac.); elem. anal.;97%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

tribromomethylbenzene
2489-03-4

tribromomethylbenzene

Conditions
ConditionsYield
With aluminum tri-bromide In chlorobenzene at 80℃; for 21h;96%
With aluminum tri-bromide; trimethylsilyl bromide at 80℃; Inert atmosphere;96%
With boron tribromide In tetrachloromethane at 20℃; for 36h; Inert atmosphere;60%
With boron tribromide In tetrachloromethane at 20℃; for 36h; Inert atmosphere;60%
With boron tribromide
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

(R)-3-bromo-N-(1-(naphthalen-1-yl)ethyl)propan-1-amine

(R)-3-bromo-N-(1-(naphthalen-1-yl)ethyl)propan-1-amine

cinacalcet
226256-56-0

cinacalcet

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane at 0℃; for 2h;95.6%
N-vinyl-N-methylacetamide
3195-78-6

N-vinyl-N-methylacetamide

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

N-(3,3-difluoro-3-phenylpropyl)-N-methylacetamide

N-(3,3-difluoro-3-phenylpropyl)-N-methylacetamide

Conditions
ConditionsYield
With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; potassium formate; thiophenol In dimethyl sulfoxide at 100℃; for 24h; Inert atmosphere; Irradiation; Sealed tube;95%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

3-trifluoromethylnitrobenzene
98-46-4

3-trifluoromethylnitrobenzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 20℃; for 3h;94%
With sulfuric acid; nitric acid In 1,2-dichloro-ethane at 30 - 40℃; for 8h; Large scale;93.1%
With bromine; Nitrogen dioxide In sulfuric acid at 20℃; for 5h; Product distribution; other time, other solvent, under argon;69%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

trifluoromethylcyclohexane
401-75-2

trifluoromethylcyclohexane

Conditions
ConditionsYield
With hydrogen In neat (no solvent) at 50℃; under 760.051 Torr; for 64h; Temperature;94%
With hydrogen In pentane at 40℃; under 30400 Torr;
With hydrogen In tetrahydrofuran at 120℃; under 7500.75 Torr; for 1h;
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

2,4,6-tris(1-phenyl-1H-tetrazolsulfanylmethyl)mesitylene
1280197-76-3

2,4,6-tris(1-phenyl-1H-tetrazolsulfanylmethyl)mesitylene

C7H5F3*C33H30N12S3
1280198-02-8

C7H5F3*C33H30N12S3

Conditions
ConditionsYield
With air In dichloromethane for 48h;94%
2-methyl-undec-1-ene
18516-37-5

2-methyl-undec-1-ene

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

(1,1-difluoro-3-methyldodecyl)benzene

(1,1-difluoro-3-methyldodecyl)benzene

Conditions
ConditionsYield
With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; potassium formate; thiophenol In dimethyl sulfoxide at 100℃; for 24h; Inert atmosphere; Irradiation; Sealed tube;94%
polytetrafluoroethylene
116-14-3

polytetrafluoroethylene

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

4-Iodobenzotrifluoride
455-13-0

4-Iodobenzotrifluoride

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
5123-13-7

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

1,1,2,2,-tetrafluoro-1-(p-trifluoromethylphenyl)-2-phenylethane

1,1,2,2,-tetrafluoro-1-(p-trifluoromethylphenyl)-2-phenylethane

Conditions
ConditionsYield
Stage #1: polytetrafluoroethylene; α,α,α-trifluorotoluene; 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane With 1,10-Phenanthroline; copper (I) tert-butoxide In tetrahydrofuran under 2660.18 Torr; Inert atmosphere;
Stage #2: 4-Iodobenzotrifluoride at 60℃; for 4h;
93%
trans-[PdIPh(AsPh3)2]
352670-77-0, 78622-84-1

trans-[PdIPh(AsPh3)2]

triphenyl-arsane
603-32-7

triphenyl-arsane

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

(trifluoromethyl)trimethylsilane
81290-20-2

(trifluoromethyl)trimethylsilane

trans-[Pd(CF3)Ph(AsPh3)2]

trans-[Pd(CF3)Ph(AsPh3)2]

Conditions
ConditionsYield
Stage #1: trans-[PdIPh(AsPh3)2]; triphenyl-arsane; α,α,α-trifluorotoluene With silver fluoride In benzene for 1h; Glovebox; Sonication; Darkness;
Stage #2: (trifluoromethyl)trimethylsilane In benzene for 0.25h; Glovebox;
93%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

N-methoxypropargylamine
20056-97-7

N-methoxypropargylamine

(E)-5-phenyl-3-styryl-1,2,4-triazine

(E)-5-phenyl-3-styryl-1,2,4-triazine

6-methoxy-7-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

6-methoxy-7-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Conditions
ConditionsYield
Stage #1: α,α,α-trifluorotoluene; N-methoxypropargylamine; (E)-5-phenyl-3-styryl-1,2,4-triazine With bis(trifluoromethanesulfonyl)amide at 20℃; for 48h; Microwave irradiation;
Stage #2: With potassium carbonate at 180℃; for 2h; Sealed tube;
93%
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

(difluoro(trimethylsilyl)methyl)benzene
149021-01-2

(difluoro(trimethylsilyl)methyl)benzene

Conditions
ConditionsYield
In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide electrochemical reaction;92%
In tetrahydrofuran for 48h; electrolysis: aluminium anode, stainless steel cathode, NBu4Br as supporting electrolyte, i = 0.1 A, j = 0.4 A dm-2, 1.3 F mol-1; Yield given;
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

(S)-2-(3-furyl)-1-phenyl-1-ethanol
184844-76-6

(S)-2-(3-furyl)-1-phenyl-1-ethanol

(S)-2-(3-furyl)-1-phenylethyl[1-(trifluoromethyl)phenyl] ether
406945-07-1

(S)-2-(3-furyl)-1-phenylethyl[1-(trifluoromethyl)phenyl] ether

Conditions
ConditionsYield
Stage #1: (S)-2-(3-furyl)-1-phenyl-1-ethanol With sodium hydride In N,N-dimethyl acetamide at 50 - 55℃; for 0.75h;
Stage #2: α,α,α-trifluorotoluene In N,N-dimethyl acetamide at 95℃; for 2.5h;
92%

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