Product Name

  • Name

    3-Chloromethyl-benzotrifluoride

  • EINECS 211-884-4
  • CAS No. 705-29-3
  • Article Data12
  • CAS DataBase
  • Density 1.291 g/cm3
  • Solubility
  • Melting Point 32-36 °C
  • Formula C8H6ClF3
  • Boiling Point 179.1 °C at 760 mmHg
  • Molecular Weight 194.584
  • Flash Point 48.9 °C
  • Transport Information UN 2920 8/PG 2
  • Appearance colorless to light yellow liquid
  • Safety 16-26-36/37/39-45
  • Risk Codes 10-34
  • Molecular Structure Molecular Structure of 705-29-3 (3-Chloromethyl-benzotrifluoride)
  • Hazard Symbols CorrosiveC
  • Synonyms m-Xylene, a'-chloro-a,a,a-trifluoro- (7CI,8CI);1-(Chloromethyl)-3-(trifluoromethyl)benzene;3-(Trifluoromethyl)benzyl chloride;NSC 5227;m-(Trifluoromethyl)benzylchloride;m-(a,a,a-Trifluoromethyl)benzyl chloride;a-Chloro-3-(trifluoromethyl)toluene;a'-Chloro-a,a,a-trifluoro-m-xylene;
  • PSA 0.00000
  • LogP 3.44420

Synthetic route

1,3,5-Trioxan
110-88-3

1,3,5-Trioxan

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

Conditions
ConditionsYield
Stage #1: 1,3,5-Trioxan With thionyl chloride; sulfuric acid at -5 - 5℃; for 0.5h;
Stage #2: α,α,α-trifluorotoluene With iron(III) chloride at 0 - 5℃; for 1h;		80%
3-(trifluoromethyl)benzyl alcohol
349-75-7

3-(trifluoromethyl)benzyl alcohol

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

Conditions
ConditionsYield
With thionyl chloride
With thionyl chloride In toluene for 0.0833333h; Ambient temperature;
3-Trifluoromethylbenzaldehyde
454-89-7

3-Trifluoromethylbenzaldehyde

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaBH4 / methanol / Ambient temperature
2: SOCl2 / toluene / 0.08 h / Ambient temperature
View Scheme
3-(trifluoromethyl)benzoic acid
454-92-2

3-(trifluoromethyl)benzoic acid

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: LiAlH4
2: SOCl2
View Scheme
3-(trifluoromethyl)benzyl alcohol
349-75-7

3-(trifluoromethyl)benzyl alcohol

A

C16H12F6O

C16H12F6O

B

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

Conditions
ConditionsYield
With hydrogenchloride In water at 120℃; under 5171.62 Torr; for 0.25h; Flow reactor;A n/a
B 73 %Spectr.
phenylacetylene
536-74-3

phenylacetylene

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1-(3-(trifluoromethyl)benzyl)-4-phenyl-1H-1,2,3-triazole
1198769-40-2

1-(3-(trifluoromethyl)benzyl)-4-phenyl-1H-1,2,3-triazole

Conditions
ConditionsYield
With sodium azide In water at 20℃; for 5h; Green chemistry;99%
<2-(acetylamino)methyl>morpholine acetyl salt
131322-23-1

<2-(acetylamino)methyl>morpholine acetyl salt

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

2-<(acetylamino)methyl>-4-<3-(trifluoromethyl)benzyl>morpholine
112887-04-4

2-<(acetylamino)methyl>-4-<3-(trifluoromethyl)benzyl>morpholine

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In butanone for 17h; Heating;98%
1-ethenylcyclohexene
931-49-7

1-ethenylcyclohexene

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1-(3-cyclohex-1-enylprop-2-ynyl)-3-trifluoromethylbenzene

1-(3-cyclohex-1-enylprop-2-ynyl)-3-trifluoromethylbenzene

Conditions
ConditionsYield
With caesium carbonate; XPhos; dichloro bis(acetonitrile) palladium(II) In tetrahydrofuran at 65℃; for 4h; Heck alkynylation;97%
piperazine
110-85-0

piperazine

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

N-[3-(trifluoromethyl)benzyl]piperazine
55513-16-1

N-[3-(trifluoromethyl)benzyl]piperazine

Conditions
ConditionsYield
In tetrahydrofuran for 4h; Reflux;96%
In toluene at 85℃; for 2h;75%
With potassium carbonate In xylene for 1h; Heating;72%
In tetrahydrofuran for 4h; Reflux; Inert atmosphere;66%
In dichloromethane at 0℃;
3-Hydroxyacetophenone
121-71-1

3-Hydroxyacetophenone

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1-(3-(3-(trifluoromethyl)benzyloxy)phenyl)ethanone
1039818-71-7

1-(3-(3-(trifluoromethyl)benzyloxy)phenyl)ethanone

Conditions
ConditionsYield
With potassium carbonate In acetone Reflux;96%
3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

2-chloroindole-3-carboxaldehyde
5059-30-3

2-chloroindole-3-carboxaldehyde

2-Chloro-1-(3-trifluoromethyl-benzyl)-1H-indole-3-carbaldehyde

2-Chloro-1-(3-trifluoromethyl-benzyl)-1H-indole-3-carbaldehyde

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 60℃; for 4h;95%
With potassium carbonate In acetone at 20℃; for 2h;
3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

(Z)-(((5-iodopent-4-en-1-yl)oxy)methyl)benzene

(Z)-(((5-iodopent-4-en-1-yl)oxy)methyl)benzene

(Z)-1-(6-(benzyloxy)hex-2-en-1-yl)-3-(trifluoromethyl)benzene
1310582-69-4

(Z)-1-(6-(benzyloxy)hex-2-en-1-yl)-3-(trifluoromethyl)benzene

Conditions
ConditionsYield
With N,N,N,N,-tetramethylethylenediamine; bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II); zinc In water at 20℃; for 6h; Inert atmosphere;95%
3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

4-Hydroxyacetophenone
99-93-4

4-Hydroxyacetophenone

1-(4-((3-(trifluoromethyl)benzyl)oxy)phenyl)ethanone
79615-77-3

1-(4-((3-(trifluoromethyl)benzyl)oxy)phenyl)ethanone

Conditions
ConditionsYield
With potassium carbonate In acetone Reflux;95%
o-hydroxyacetophenone
118-93-4

o-hydroxyacetophenone

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1-(2-(3-(trifluoromethyl)benzyloxy)phenyl)ethanone
1039822-45-1

1-(2-(3-(trifluoromethyl)benzyloxy)phenyl)ethanone

Conditions
ConditionsYield
With potassium carbonate In acetone Reflux;95%
3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1‐(azidomethyl)‐3‐(trifluoromethyl)benzene
620533-90-6

1‐(azidomethyl)‐3‐(trifluoromethyl)benzene

Conditions
ConditionsYield
With sodium azide In water; dimethyl sulfoxide at 50℃; for 2h;94%
With sodium azide In water; acetone at 60℃;87%
With sodium azide In 2,4-dichlorophenoxyacetic acid dimethylamine at 100℃; for 0.166667h; Microwave irradiation;
With sodium azide at 20℃;
C11H10NO2S3(1-)*K(1+)
73762-96-6

C11H10NO2S3(1-)*K(1+)

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

Dithiocarbonic acid O-[3-(2-oxo-benzothiazol-3-yl)-propyl] ester S-(3-trifluoromethyl-benzyl) ester
121899-77-2

Dithiocarbonic acid O-[3-(2-oxo-benzothiazol-3-yl)-propyl] ester S-(3-trifluoromethyl-benzyl) ester

Conditions
ConditionsYield
In water at 25 - 30℃; for 24h;92%
fur-2-ylboronic acid
13331-23-2

fur-2-ylboronic acid

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

2-(3-(trifluoromethyl)benzyl)furan
1251914-06-3

2-(3-(trifluoromethyl)benzyl)furan

Conditions
ConditionsYield
With C46H64ClPPd; potassium carbonate In tetrahydrofuran; methanol at 40℃; for 1h; Suzuki-Miyaura Coupling; Inert atmosphere;92%
With C46H64ClPPd; potassium carbonate In tetrahydrofuran; methanol at 40℃; for 1h; Suzuki-Miyaura Coupling; Inert atmosphere; Glovebox; Sealed tube;92%
With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) In tetrahydrofuran; water at 40℃; for 0.5h; Suzuki-Miyaura cross-coupling; Inert atmosphere;87%
trimethylaluminum
75-24-1

trimethylaluminum

tert-butyldimethylsilyl hex-5-yn-1-yl ether
73448-13-2

tert-butyldimethylsilyl hex-5-yn-1-yl ether

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

tert-butyl(dimethyl)({(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enyl}oxy)silane

tert-butyl(dimethyl)({(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enyl}oxy)silane

Conditions
ConditionsYield
Stage #1: trimethylaluminum; tert-butyldimethylsilyl hex-5-yn-1-yl ether With zirconocene dichloride In 1,2-dichloro-ethane at 20℃; for 5h;
Stage #2: 3-Trifluoromethylbenzyl chloride With n-butyllithium; triphenylphosphine; nickel on carbon In tetrahydrofuran; hexane at 20℃; for 10h;		91%
...Expand
4-chloro-benzoyl chloride
122-01-0

4-chloro-benzoyl chloride

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1-(4-chlorophenyl)-2-(3-(trifluoromethyl)phenyl)ethan-1-one
1097726-09-4

1-(4-chlorophenyl)-2-(3-(trifluoromethyl)phenyl)ethan-1-one

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylbenzyl chloride With magnesium; lithium chloride; zinc(II) chloride In tetrahydrofuran at 25℃; for 0.5h; Inert atmosphere;
Stage #2: With copper(I) cyanide di(lithium chloride) In tetrahydrofuran at -20℃; for 0.25h; Inert atmosphere;
Stage #3: 4-chloro-benzoyl chloride In tetrahydrofuran at 25℃; for 1h; Inert atmosphere;		91%
Stage #1: 3-Trifluoromethylbenzyl chloride With lithium manganese chloride; magnesium In tetrahydrofuran; tert-butyl methyl ether at 0℃; for 1.5h; Schlenk technique; Inert atmosphere;
Stage #2: 4-chloro-benzoyl chloride In tetrahydrofuran at 0 - 25℃; Schlenk technique; Inert atmosphere;		114 mg
sodium cyanide
773837-37-9

sodium cyanide

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

3-trifluoromethylphenylacetonitrile
2338-76-3

3-trifluoromethylphenylacetonitrile

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride In water at 55 - 65℃; for 10h; Temperature;91%
triphenylphosphine
603-35-0

triphenylphosphine

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

(m-(Trifluoromethyl)benzyl)triphenylphosphonium Chloride
35675-77-5

(m-(Trifluoromethyl)benzyl)triphenylphosphonium Chloride

Conditions
ConditionsYield
In toluene for 6h; Heating;90%
In toluene Reflux;29%
In xylene for 22h; Heating;
In toluene for 8h; Heating;
carbazole nitranion
23560-25-0

carbazole nitranion

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

9-(3-(trifluoromethyl)benzyl)-9H-carbazole
89486-39-5

9-(3-(trifluoromethyl)benzyl)-9H-carbazole

Conditions
ConditionsYield
In dimethyl sulfoxide at 25℃; for 0.5h; Rate constant;90%
In dimethyl sulfoxide at 25℃; for 0.5h;90%
3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1,2-bis(3-(trifluoromethyl)phenyl)ethane
72390-22-8

1,2-bis(3-(trifluoromethyl)phenyl)ethane

Conditions
ConditionsYield
With copper(I) bromide In water at 20℃; for 0.416667h; under air;90%
With samarium diiodide In tetrahydrofuran at 20℃; Kinetics; Glovebox; Inert atmosphere;
N,N,N′-trimethylsulfamide
76820-42-3

N,N,N′-trimethylsulfamide

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

C11H15F3N2O2S
76806-01-4

C11H15F3N2O2S

Conditions
ConditionsYield
With sodium 1.) EtOH, 2.) CH3CN, reflux, 5 h;89%
3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

C16H35AlOSi

C16H35AlOSi

Triisopropyl-[(E)-3-methyl-5-(3-trifluoromethyl-phenyl)-pent-3-enyloxy]-silane

Triisopropyl-[(E)-3-methyl-5-(3-trifluoromethyl-phenyl)-pent-3-enyloxy]-silane

Conditions
ConditionsYield
With nickel(II) oxide In tetrahydrofuran Ambient temperature;89%
o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

methyl 2-(3-(trifluoromethyl)benzyl)benzoate
1268398-21-5

methyl 2-(3-(trifluoromethyl)benzyl)benzoate

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylbenzyl chloride With indium(III) chloride; chloro-trimethyl-silane; aluminium In tetrahydrofuran at 25℃; for 24h; Inert atmosphere;
Stage #2: With zinc diacetate In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere;
Stage #3: o-iodo-methyl-benzoic acid With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl) palladium(II) dichloride In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 50℃; for 2h; Inert atmosphere;		89%
Tetraethyl methylenediphosphonate
1660-94-2

Tetraethyl methylenediphosphonate

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

tetraethyl (3-trifluromethylphenyl)ethylidenebisphosphonate

tetraethyl (3-trifluromethylphenyl)ethylidenebisphosphonate

Conditions
ConditionsYield
Stage #1: Tetraethyl methylenediphosphonate With sodium hydride In tetrahydrofuran at 0 - 20℃; for 0.5h;
Stage #2: 3-Trifluoromethylbenzyl chloride With sodium iodide In tetrahydrofuran at 80℃; for 2h;		89%
2-amino-3-hydroxypyridine
16867-03-1

2-amino-3-hydroxypyridine

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

2-amino-3-(3-trifluoromethylbenzyloxy)pyridine
81066-62-8

2-amino-3-(3-trifluoromethylbenzyloxy)pyridine

Conditions
ConditionsYield
With sodium hydroxide; Adogen 464<*> In dichloromethane at 25℃; for 16h;88%
3-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-indole
76894-56-9

3-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-indole

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1-[3-(trifluoromethyl)benzyl]-3-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-indole

1-[3-(trifluoromethyl)benzyl]-3-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-indole

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h;88%
3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

2-mercapto-5-methylbenzimidazole
27231-36-3

2-mercapto-5-methylbenzimidazole

6-methyl-2-(3-trifluoromethyl-benzylsulfanyl)-1H-benzoimidazole

6-methyl-2-(3-trifluoromethyl-benzylsulfanyl)-1H-benzoimidazole

Conditions
ConditionsYield
Stage #1: 2-mercapto-5-methylbenzimidazole With sodium methylate In methanol; N,N-dimethyl-formamide at 20℃; for 0.166667h;
Stage #2: 3-Trifluoromethylbenzyl chloride In methanol; N,N-dimethyl-formamide at 20℃;		87%
carbon monoxide
201230-82-2

carbon monoxide

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

potassium phenyltrifluoborate

potassium phenyltrifluoborate

1-phenyl-2,3-bis-(3-trifluoromethyl-phenyl)-propan-1-one

1-phenyl-2,3-bis-(3-trifluoromethyl-phenyl)-propan-1-one

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; sodium carbonate at 100℃; under 760.051 Torr; for 9h;87%
...Expand
S-(3-cyanobenzyl) benzenesulfonothioate
1187442-20-1

S-(3-cyanobenzyl) benzenesulfonothioate

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

3-({[-3-(trifluoromethyl)benzyl]thio}methyl)benzonitrile
1187442-34-7

3-({[-3-(trifluoromethyl)benzyl]thio}methyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylbenzyl chloride With magnesium; lithium chloride; zinc(II) chloride In tetrahydrofuran at 25℃; for 0.5h; Inert atmosphere;
Stage #2: S-(3-cyanobenzyl) benzenesulfonothioate In tetrahydrofuran at 25℃; for 2h; Inert atmosphere;		86%
sodium azide

sodium azide

phenylacetylene
536-74-3

phenylacetylene

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

1-(3-(trifluoromethyl)benzyl)-4-phenyl-1H-1,2,3-triazole
1198769-40-2

1-(3-(trifluoromethyl)benzyl)-4-phenyl-1H-1,2,3-triazole

Conditions
ConditionsYield
In water at 70℃; for 12h; Huisgen Cycloaddition; Green chemistry;86%
...Expand
2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

2-(3-(trifluoromethyl)phenyl)benzo[d]thiazole
133389-19-2

2-(3-(trifluoromethyl)phenyl)benzo[d]thiazole

Conditions
ConditionsYield
With N-methylcyclohexylamine; sulfur at 110℃; for 24h; Sealed tube; Inert atmosphere;86%
8-aza-4α,10-dimethyl-trans-decal-3β-ol
101961-57-3

8-aza-4α,10-dimethyl-trans-decal-3β-ol

3-Trifluoromethylbenzyl chloride
705-29-3

3-Trifluoromethylbenzyl chloride

(4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(3-trifluoromethyl-benzyl)-decahydro-isoquinolin-6-ol

(4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(3-trifluoromethyl-benzyl)-decahydro-isoquinolin-6-ol

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 5.25h; Heating;85.4%

3-Chloromethyl-benzotrifluoride Specification

The IUPAC name of 3-Chloromethyl-benzotrifluoride is 1-(chloromethyl)-3-(trifluoromethyl)benzene. With the CAS registry number 705-29-3, it is also named as 3-(Trifluoromethyl)benzyl chloride. Besides, it is colorless to light yellow liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C8H6ClF3 and molecular weight is 194.58.

The other characteristics of 3-Chloromethyl-benzotrifluoride can be summarized as: (1)EINECS: 211-884-4; (2)ACD/LogP: 3.06; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.06; (5)ACD/LogD (pH 7.4): 3.06; (6)ACD/BCF (pH 5.5): 124.32; (7)ACD/BCF (pH 7.4): 124.32; (8)ACD/KOC (pH 5.5): 1098.72; (9)ACD/KOC (pH 7.4): 1098.72; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 40.99 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 16.25×10-24cm3; (17)Surface Tension: 25.8 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 48.9 °C; (20)Enthalpy of Vaporization: 39.84 kJ/mol; (21)Boiling Point: 179.1 °C at 760 mmHg; (22)Vapour Pressure: 1.29 mmHg at 25 °C.

Uses of 3-Chloromethyl-benzotrifluoride: it can react with pyrrolidine to get 1-(3-trifluoromethyl-benzyl)-pyrrolidine.



This reaction needs potassium carbonate and xylene by heating for 1 hour. The yield is 70 %.

When you are using this chemical, please be cautious about it as the following: it is flammable that may cause burns. Please keep away from sources of ignition. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl
(2)InChI: InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
(3)InChIKey: XGASTRVQNVVYIZ-UHFFFAOYSA-N 

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