Benzotrifluoride supplier

Name
Benzotrifluoride
EINECS 202-635-0
CAS No. 98-08-8
Article Data336
CAS DataBase
Density 1.188 1.118 g/cm^>3
Solubility water: <0.1 g/100 mL at 21 °C
Melting Point -29 °C(lit.)
Formula C₇H₅F₃
Boiling Point 104.769 °C at 760 mmHg
Molecular Weight 146.112
Flash Point 12.222 °C
Transport Information UN 2338 3/PG 2
Appearance Clear colourless to light yellow liquid
Safety 53-26-36/37-45-62-61-23-16
Risk Codes 45-46-11-36/38-48/23/24/25-65-51/53-39/23/24/25-23/24/25
Molecular Structure
Hazard Symbols F,T,C,N
Synonyms Toluene, a,a,a-trifluoro- (6CI,8CI);Toluene, a-trifluoro- (3CI);(1,1',1''-Trifluoromethyl)benzene;(Trifluoromethyl)benzene;1',1',1'-Trifluorotoluene;Benzenyl fluoride;Benzylidyne fluoride;NSC 8038;Oxsol 2000;Phenylfluoroform;Trifluoro(phenyl)methane;UN 238;a,a,a-Trifluorotoluene;
PSA 0.00000
LogP 2.70540

Synthetic route

: 98-07-7
Benzotrichlorid

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
In polyethylene	100%
In polyethylene	100%
In polyethylene	98.5%

: 913653-92-6, 913744-90-8
cis-(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)phenyl(trifluoromethyl)palladium(II)

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
In [D3]acetonitrile at 20℃; for 27h; Irradiation;	100%

: 98-56-6
4-chlorobenzotrifluoride

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With 1,1'-bis(diisopropylphosphino)ferrocene; 1-trifluoromethoxybenzene In para-xylene at 130℃; for 24h; Inert atmosphere;	99%

: 65-85-0
benzoic acid

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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%

: 110-66-7
n-pentanethiol

: 402-43-7
p-trifluoromethylphenyl bromide

A: 98-08-8
α,α,α-trifluorotoluene

B: C12H15F3S

Conditions

Conditions	Yield
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%

...Expand

: 591-50-4
iodobenzene

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

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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%

: 98-88-4
benzoyl chloride

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With pyridine; phenylsulphur trifluoride; hydrogen fluoride at 50℃; for 24h; Product distribution / selectivity; Neat (no solvent);	93%

: 56-23-5
tetrachloromethane

: 71-43-2
benzene

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With hydrogen fluoride at 100℃; for 5h;	92%
With hydrogen fluoride

: 998-30-1
Triethoxysilane

: 401-81-0
m-trifluoromethylphenyl iodide

A: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

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

...Expand

: 591-50-4
iodobenzene

: potassium trimethoxy(trifluoromethyl)boranuide

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With copper(l) iodide; 1,10-Phenanthroline In dimethyl sulfoxide at 60℃; for 16h; Inert atmosphere;	91%

: 110907-55-6
tri(n-butyl)(2-methyl-naphth-1-yl)stannane

: 455-13-0
4-Iodobenzotrifluoride

A: 98-08-8
α,α,α-trifluorotoluene

B: 1254105-11-7
C18H13F3

Conditions

Conditions	Yield
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%

...Expand

: 401-78-5
3-bromo-1-trifluoromethylbenzene

: 998-30-1
Triethoxysilane

A: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
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%

...Expand

: C41H33F3FeP2Pd

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; 1-trifluoromethoxybenzene at 130℃; for 36h; Inert atmosphere;	89%

: 591-50-4
iodobenzene

: 1514-87-0
metyhyl chlorodifluoroacetate

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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%

: 591-50-4
iodobenzene

: 1514-87-0
metyhyl chlorodifluoroacetate

A: 98-08-8
α,α,α-trifluorotoluene

B: 74-88-4
methyl iodide

Conditions

Conditions	Yield
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

...Expand

: 392-83-6
o-trifluoromethylphenyl bromide

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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;

: 312-75-4
trimethyl(4-trifluoromethylphenyl)silane

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With potassium trimethylsilonate In dimethyl sulfoxide at 60℃; under 760.051 Torr; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; Sealed tube;	87%

: 402-43-7
p-trifluoromethylphenyl bromide

: 7440-66-6
zinc

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

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

C: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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%

...Expand

: 2168-78-7
methyl dithiobenzoate

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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.

: 124-38-9
carbon dioxide

: 402-43-7
p-trifluoromethylphenyl bromide

A: 98-08-8
α,α,α-trifluorotoluene

B: 455-24-3
4-trifluoromethylbenzoic acid

Conditions

Conditions	Yield
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%

...Expand

: 201230-82-2
carbon monoxide

A: 455-19-6
4-Trifluoromethylbenzaldehyde

B: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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%

: 591-50-4
iodobenzene

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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;

: 98-56-6
4-chlorobenzotrifluoride

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

A: 98-08-8
α,α,α-trifluorotoluene

B: 214360-65-3
4-trifluoromethylphenylboronic acid pinacol ester

Conditions

Conditions	Yield
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%

...Expand

: 455-13-0
4-Iodobenzotrifluoride

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

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

B: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
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;

...Expand

: 455-13-0
4-Iodobenzotrifluoride

: 960-16-7
tributylphenylstannane

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

B: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
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%

...Expand

: 2926-29-6
Langlois reagent

: 62-53-3
aniline

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
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%

: 1423-27-4
2-(trifluoromethyl)phenylboronic acid

: 98-08-8
α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With sodium hypochlorite; tetrabutylammomium bromide; water at 100℃;	83%

: 591-50-4
iodobenzene

: 2314-97-8
iodotrifluoromethane

: 98-08-8
α,α,α-trifluorotoluene

Conditions

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

: 98-08-8
α,α,α-trifluorotoluene

: α,α,α-triiodotoluene

Conditions

Conditions	Yield
With hafnium(IV) iodide for 5h; Reagent/catalyst; Glovebox; Inert atmosphere;	100%
With aluminium(III) iodide In chlorobenzene at 80℃; for 21h;

: 98-08-8
α,α,α-trifluorotoluene

: C84H104B2Fe2N14

: C49H57BF3FeN6

Conditions

Conditions	Yield
Inert atmosphere;	99%

: 98-08-8
α,α,α-trifluorotoluene

: 392-83-6
o-trifluoromethylphenyl bromide

Conditions

Conditions	Yield
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;

: 303009-58-7
cis-[Rh(cyclooctene)(PiPr3)(acetone)2]PF6

: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
In neat (no solvent) a few s under Ar at room temp.; ppt. washed wiyh pentane and dried; elem. anal.;	98%

: 98-08-8
α,α,α-trifluorotoluene

: 98-07-7
Benzotrichlorid

Conditions

Conditions	Yield
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%

: 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

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

Conditions

Conditions	Yield
With trifluoroacetic acid at 20℃; for 0.05h;	98%

: 53416-46-9
2-(4-methoxyphenyl)-4,4-dimethyl-2-oxazoline

: 98-08-8
α,α,α-trifluorotoluene

1-halo-3-(trifluoromethyl)benzene: 1-halo-3-(trifluoromethyl)benzene

: C19H18F3NO2

Conditions

Conditions	Yield
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%

...Expand

: 15617-18-2, 39958-10-6, 14220-64-5
bis(benzonitrile)palladium(II) dichloride

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

: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
In further solvent(s) (N2); stirred for 4 h in CF3C6H5; evapd. (vac.), extd. (hot THF), evapd. (vac.); elem. anal.;	97%

...Expand

: 98-08-8
α,α,α-trifluorotoluene

: 2489-03-4
tribromomethylbenzene

Conditions

Conditions	Yield
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

: 98-08-8
α,α,α-trifluorotoluene

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

: 226256-56-0
cinacalcet

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0℃; for 2h;	95.6%

: 3195-78-6
N-vinyl-N-methylacetamide

: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
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%

: 98-08-8
α,α,α-trifluorotoluene

: 98-46-4
3-trifluoromethylnitrobenzene

Conditions

Conditions	Yield
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%

: 98-08-8
α,α,α-trifluorotoluene

: 401-75-2
trifluoromethylcyclohexane

Conditions

Conditions	Yield
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;

: 98-08-8
α,α,α-trifluorotoluene

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

: 1280198-02-8
C7H5F3*C33H30N12S3

Conditions

Conditions	Yield
With air In dichloromethane for 48h;	94%

: 18516-37-5
2-methyl-undec-1-ene

: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
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%

: 116-14-3
polytetrafluoroethylene

: 98-08-8
α,α,α-trifluorotoluene

: 455-13-0
4-Iodobenzotrifluoride

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

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

Conditions

Conditions	Yield
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%

...Expand

: 352670-77-0, 78622-84-1
trans-[PdIPh(AsPh3)2]

: 603-32-7
triphenyl-arsane

: 98-08-8
α,α,α-trifluorotoluene

: 81290-20-2
(trifluoromethyl)trimethylsilane

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

Conditions

Conditions	Yield
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%

...Expand

: 98-08-8
α,α,α-trifluorotoluene

: 20056-97-7
N-methoxypropargylamine

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

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

Conditions

Conditions	Yield
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%

...Expand

: 75-77-4
chloro-trimethyl-silane

: 98-08-8
α,α,α-trifluorotoluene

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

Conditions

Conditions	Yield
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;

: 98-08-8
α,α,α-trifluorotoluene

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

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

Conditions

Conditions	Yield
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%

Benzotrifluoride Chemical Properties

IUPAC Name: trifluoromethylbenzene
Molecular Formula: C₇H₅F₃
Molecular Weight: 146.109810 g/mol
Melting Point: -29 °C(lit.)
Boiling Point: 102 °C(lit.)
Flash Point: 54 °F
Appearance: clear colourless to light yellow liquid
Solubility: acetone, ethyl ether, ethanol, benzene, carbon tetrachloride
Water Solubility: <0.1 g/100 mL at 21 °C
Enthalpy of Vaporization: 32.63 kJ/mol
Vapour Pressure: 35.3 mmHg at 25°C
density: 1.19 g/mL at 20 °C(lit.)
refractive index: n20/D 1.414(lit.)
storage temp.: 2-8°C
Merck: 4,1110
BRN: 06908
EINECS: 202-635-0
Synonyms of Trifluoromethylbenzene (98-08-8):
Benzotrifluoride ; ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE ; A,A,A-TRIFLUOROTOLUENE ; BENZOTRIFLUORIDE ; SURROGATE STANDARD, EPA 601/2 ; Toluene trifluoride ; (TRIFLUOROMETHYL)-BENZENE ; TRIFLUORO TOLUENE ; (Trifluormethyl)-benzol
Categories of Trifluoromethylbenzene (98-08-8):
Aromatic Hydrocarbons (substituted) & Derivatives;Fluorous Chemistry;Fluorous Solvents;Synthetic Organic Chemistry

Benzotrifluoride Uses

Trifluoromethylbenzene (98-08-8) is used as an organic solvents and an intermediate for medicine, dyes.

Benzotrifluoride Toxicity Data With Reference

Toxicity Information of Trifluoromethylbenzene (98-08-8):
1.frog LDLo subcutaneous 870mg/kg (870mg/kg)
AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT)
PARASYMPATHOMIMETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 130, Pg. 250, 1928.
2.mammal (species unspecified) LC50 inhalation 92gm/m³ (92000mg/m³)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 6, 1986.
3.mouse LC50 inhalation 92240mg/m³/2H (92240mg/m³)
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
4.mouse LD50 intraperitoneal 100mg/kg (100mg/kg)
National Technical Information Service. Vol. AD277-689.
5.mouse LD50 oral 10000mg/kg (10000mg/kg)
BEHAVIORAL: GENERAL ANESTHETIC
BEHAVIORAL: EXCITEMENT
BEHAVIORAL: MUSCLE WEAKNESS
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 131, 1968.
6.rat LC50 inhalation 70810mg/m³/4H (70810mg/m³)
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
7.rat LD50 oral 15gm/kg (15000mg/kg)
BEHAVIORAL: GENERAL ANESTHETIC
BEHAVIORAL: EXCITEMENT
BEHAVIORAL: MUSCLE WEAKNESS
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 131, 1968.

Benzotrifluoride Safety Profile

Safety Information of Trifluoromethylbenzene(98-08-8):
Hazard Codes:F ,T ,C ,N
Risk Statements:11-65-51/53-23/24/25
R11:Highly flammable.
R65:Harmful: may cause lung damage if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements:61-23-16
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S23:Do not breathe vapour.
S16:Keep away from sources of ignition.
RIDADR:UN 2338 3/PG 2
WGK Germany:3
RTECS:XT9450000
Hazard Note:Flammable/Corrosive
HazardClass:3
PackingGroup:II

Benzotrifluoride Specification

First Aid Measures of Trifluoromethylbenzene(98-08-8):
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Storage of Trifluoromethylbenzene(98-08-8):
Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Flammables-area.

Product Name

Benzotrifluoride

Synthetic route

Benzotrifluoride Chemical Properties

Benzotrifluoride Uses

Benzotrifluoride Toxicity Data With Reference

Benzotrifluoride Safety Profile

Benzotrifluoride Specification

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