Trifluoromethylbenzenes

Organic compounds that consist of a phenyl group bonded to a carbon that is bonded to three fluorine atoms in the following structure: C6H5CF3; also known as benzotrifluoride.

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2-Bromobenzotrifluoride, 99%, Thermo Scientific Chemicals

CAS: 392-83-6 Molecular Formula: C₇H₄BrF₃ Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000373 InChI Key: RWXUNIMBRXGNEP-UHFFFAOYSA-N Synonym: 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech PubChem CID: 9806 IUPAC Name: 1-bromo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br

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Specifications

PubChem CID	9806
CAS	392-83-6
Molecular Weight (g/mol)	225.01
MDL Number	MFCD00000373
SMILES	C1=CC=C(C(=C1)C(F)(F)F)Br
Synonym	2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech
IUPAC Name	1-bromo-2-(trifluoromethyl)benzene
InChI Key	RWXUNIMBRXGNEP-UHFFFAOYSA-N
Molecular Formula	C₇H₄BrF₃

4-Iodobenzotrifluoride, 97%, Thermo Scientific Chemicals

CAS: 455-13-0 Molecular Formula: C₇H₄F₃I Molecular Weight (g/mol): 272 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

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Specifications

PubChem CID	67993
CAS	455-13-0
Molecular Weight (g/mol)	272
MDL Number	MFCD00039398
SMILES	C1=CC(=CC=C1C(F)(F)F)I
Synonym	4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene
IUPAC Name	1-iodo-4-(trifluoromethyl)benzene
InChI Key	SKGRFPGOGCHDPC-UHFFFAOYSA-N
Molecular Formula	C₇H₄F₃I

2-Nitrobenzotrifluoride, 98%, Thermo Scientific™

CAS: 384-22-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.11 MDL Number: MFCD00007145 InChI Key: NDZJSUCUYPZXPR-UHFFFAOYSA-N Synonym: 2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj PubChem CID: 9795 IUPAC Name: 1-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC=C1C(F)(F)F

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Specifications

PubChem CID	9795
CAS	384-22-5
Molecular Weight (g/mol)	191.11
MDL Number	MFCD00007145
SMILES	[O-][N+](=O)C1=CC=CC=C1C(F)(F)F
Synonym	2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj
IUPAC Name	1-nitro-2-(trifluoromethyl)benzene
InChI Key	NDZJSUCUYPZXPR-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO2

3,4-Difluorobenzotrifluoride, 97%, Thermo Scientific Chemicals

CAS: 32137-19-2 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.09 MDL Number: MFCD00077510 InChI Key: MVCGQTYWLZSKSB-UHFFFAOYSA-N Synonym: 3,4-difluorobenzotrifluoride,1,2-difluoro-4-trifluoromethyl benzene,alpha,alpha,alpha,3,4-pentafluorotoluene,benzene, 1,2-difluoro-4-trifluoromethyl,pubchem1651,ksc497k4r,1,2-difluoro-4-trifluoromethyl benzene # PubChem CID: 602797 IUPAC Name: 1,2-difluoro-4-(trifluoromethyl)benzene SMILES: FC1=CC=C(C=C1F)C(F)(F)F

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Specifications

PubChem CID	602797
CAS	32137-19-2
Molecular Weight (g/mol)	182.09
MDL Number	MFCD00077510
SMILES	FC1=CC=C(C=C1F)C(F)(F)F
Synonym	3,4-difluorobenzotrifluoride,1,2-difluoro-4-trifluoromethyl benzene,alpha,alpha,alpha,3,4-pentafluorotoluene,benzene, 1,2-difluoro-4-trifluoromethyl,pubchem1651,ksc497k4r,1,2-difluoro-4-trifluoromethyl benzene #
IUPAC Name	1,2-difluoro-4-(trifluoromethyl)benzene
InChI Key	MVCGQTYWLZSKSB-UHFFFAOYSA-N
Molecular Formula	C7H3F5

2-(Trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N

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Specifications

PubChem CID	6922
CAS	88-17-5
Molecular Weight (g/mol)	161.127
MDL Number	MFCD00007718
SMILES	C1=CC=C(C(=C1)C(F)(F)F)N
Synonym	2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene
IUPAC Name	2-(trifluoromethyl)aniline
InChI Key	VBLXCTYLWZJBKA-UHFFFAOYSA-N
Molecular Formula	C7H6F3N

4-Trifluoromethylphenylboronic acid, 98%, Thermo Scientific Chemicals

CAS: 128796-39-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151855 InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid PubChem CID: 2734389 IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	2734389
CAS	128796-39-4
Molecular Weight (g/mol)	189.93
MDL Number	MFCD00151855
SMILES	OB(O)C1=CC=C(C=C1)C(F)(F)F
Synonym	4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid
IUPAC Name	[4-(trifluoromethyl)phenyl]boronic acid
InChI Key	ALMFIOZYDASRRC-UHFFFAOYSA-N
Molecular Formula	C7H6BF3O2

Bicalutamide, 97%, Thermo Scientific Chemicals

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3-(Trifluoromethyl)phenylacetone, 97%, Thermo Scientific™

CAS: 21906-39-8 Molecular Formula: C10H9F3O Molecular Weight (g/mol): 202.176 MDL Number: MFCD00000397 InChI Key: JPHQCDCEBDRIOL-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylacetone,1-3-trifluoromethyl phenyl propan-2-one,m-trifluoromethyl phenylacetone,1-3-trifluoromethyl phenyl acetone,3-trifluormethyl phenylacetone,1-3-trifluoromethyl phenyl-2-propanone,m-trifluoromethylphenylacetone,2-propanone, 1-3-trifluoromethyl phenyl PubChem CID: 89101 IUPAC Name: 1-[3-(trifluoromethyl)phenyl]propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)C(F)(F)F

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Specifications

PubChem CID	89101
CAS	21906-39-8
Molecular Weight (g/mol)	202.176
MDL Number	MFCD00000397
SMILES	CC(=O)CC1=CC(=CC=C1)C(F)(F)F
Synonym	3-trifluoromethyl phenylacetone,1-3-trifluoromethyl phenyl propan-2-one,m-trifluoromethyl phenylacetone,1-3-trifluoromethyl phenyl acetone,3-trifluormethyl phenylacetone,1-3-trifluoromethyl phenyl-2-propanone,m-trifluoromethylphenylacetone,2-propanone, 1-3-trifluoromethyl phenyl
IUPAC Name	1-[3-(trifluoromethyl)phenyl]propan-2-one
InChI Key	JPHQCDCEBDRIOL-UHFFFAOYSA-N
Molecular Formula	C10H9F3O

4-(Trifluoromethyl)aniline, ≥97%, Thermo Scientific™

CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N

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Specifications

PubChem CID	9964
CAS	455-14-1
Molecular Weight (g/mol)	161.127
ChEBI	CHEBI:40750
MDL Number	MFCD00064396
SMILES	C1=CC(=CC=C1C(F)(F)F)N
Synonym	4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine
IUPAC Name	4-(trifluoromethyl)aniline
InChI Key	ODGIMMLDVSWADK-UHFFFAOYSA-N
Molecular Formula	C7H6F3N

[3-(Trifluoromethyl)phenyl]methanethiol, Tech., Thermo Scientific™

CAS: 25697-55-6 Molecular Formula: C8H7F3S Molecular Weight (g/mol): 192.199 MDL Number: MFCD00042435 InChI Key: CQIQWIMXCPTQPJ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu PubChem CID: 141236 IUPAC Name: [3-(trifluoromethyl)phenyl]methanethiol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS

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Specifications

PubChem CID	141236
CAS	25697-55-6
Molecular Weight (g/mol)	192.199
MDL Number	MFCD00042435
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CS
Synonym	3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu
IUPAC Name	[3-(trifluoromethyl)phenyl]methanethiol
InChI Key	CQIQWIMXCPTQPJ-UHFFFAOYSA-N
Molecular Formula	C8H7F3S

2-(Trifluoromethyl)benzoic acid, 98%, Thermo Scientific Chemicals

CAS: 433-97-6 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002476 InChI Key: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid PubChem CID: 9899 ChEBI: CHEBI:60694 IUPAC Name: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F

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Specifications

PubChem CID	9899
CAS	433-97-6
Molecular Weight (g/mol)	190.12
ChEBI	CHEBI:60694
MDL Number	MFCD00002476
SMILES	OC(=O)C1=CC=CC=C1C(F)(F)F
Synonym	2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid
IUPAC Name	2-(trifluoromethyl)benzoic acid
InChI Key	FBRJYBGLCHWYOE-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

Tributyl[3-(trifluoromethyl)phenyl]stannane, Tech., Thermo Scientific™

CAS: 53566-38-4 Molecular Formula: C19H31F3Sn Molecular Weight (g/mol): 435.162 MDL Number: MFCD01934759 InChI Key: LBIOKWLHIBBLEI-UHFFFAOYSA-N Synonym: tributyl 3-trifluoromethyl phenyl stannane,tributyl-3-trifluoromethyl phenyl stannane,3-tributylstannyl benzotrifluoride,3-trifluoromethyl tri-n-butylstannyl benzene,tributyl-3-trifluoromethyl-phenyl-stannane,tributyl-3-trifluoromethyl phenyl-stannane PubChem CID: 2777910 IUPAC Name: tributyl-[3-(trifluoromethyl)phenyl]stannane SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(F)(F)F

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Specifications

PubChem CID	2777910
CAS	53566-38-4
Molecular Weight (g/mol)	435.162
MDL Number	MFCD01934759
SMILES	CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(F)(F)F
Synonym	tributyl 3-trifluoromethyl phenyl stannane,tributyl-3-trifluoromethyl phenyl stannane,3-tributylstannyl benzotrifluoride,3-trifluoromethyl tri-n-butylstannyl benzene,tributyl-3-trifluoromethyl-phenyl-stannane,tributyl-3-trifluoromethyl phenyl-stannane
IUPAC Name	tributyl-[3-(trifluoromethyl)phenyl]stannane
InChI Key	LBIOKWLHIBBLEI-UHFFFAOYSA-N
Molecular Formula	C19H31F3Sn

1-Iodo-4-(trifluoromethyl)benzene, 97%, Thermo Scientific™

CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

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Specifications

PubChem CID	67993
CAS	455-13-0
Molecular Weight (g/mol)	272.009
MDL Number	MFCD00039398
SMILES	C1=CC(=CC=C1C(F)(F)F)I
Synonym	4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene
IUPAC Name	1-iodo-4-(trifluoromethyl)benzene
InChI Key	SKGRFPGOGCHDPC-UHFFFAOYSA-N
Molecular Formula	C7H4F3I

2,6-Dichloro-4-(trifluoromethyl)benzonitrile, 97%, Thermo Scientific™

CAS: 157021-61-9 Molecular Formula: C8H2Cl2F3N Molecular Weight (g/mol): 240.006 MDL Number: MFCD00220879 InChI Key: NCXSSFQXQAOREM-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-trifluoromethyl benzonitrile,4-cyano-3,5-dichlorobenzotrifluoride,benzonitrile,2,6-dichloro-4-trifluoromethyl,2,6-dichloro-4-trifluoromethyl benzenecarbonitrile,buttpark 14550-33,intermediates-zcf02189,ncxssfqxqaorem-uhfffaoysa,buttpark 145\50-33 PubChem CID: 2736870 IUPAC Name: 2,6-dichloro-4-(trifluoromethyl)benzonitrile SMILES: C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F

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Specifications

PubChem CID	2736870
CAS	157021-61-9
Molecular Weight (g/mol)	240.006
MDL Number	MFCD00220879
SMILES	C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F
Synonym	2,6-dichloro-4-trifluoromethyl benzonitrile,4-cyano-3,5-dichlorobenzotrifluoride,benzonitrile,2,6-dichloro-4-trifluoromethyl,2,6-dichloro-4-trifluoromethyl benzenecarbonitrile,buttpark 14550-33,intermediates-zcf02189,ncxssfqxqaorem-uhfffaoysa,buttpark 145\50-33
IUPAC Name	2,6-dichloro-4-(trifluoromethyl)benzonitrile
InChI Key	NCXSSFQXQAOREM-UHFFFAOYSA-N
Molecular Formula	C8H2Cl2F3N

2,6-Dibromo-4-(trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 72678-19-4 Molecular Formula: C7H4Br2F3N Molecular Weight (g/mol): 318.919 MDL Number: MFCD00068181 InChI Key: DRSMEHXBOXHXDX-UHFFFAOYSA-N PubChem CID: 144565 IUPAC Name: 2,6-dibromo-4-(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1Br)N)Br)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	144565
CAS	72678-19-4
Molecular Weight (g/mol)	318.919
MDL Number	MFCD00068181
SMILES	C1=C(C=C(C(=C1Br)N)Br)C(F)(F)F
IUPAC Name	2,6-dibromo-4-(trifluoromethyl)aniline
InChI Key	DRSMEHXBOXHXDX-UHFFFAOYSA-N
Molecular Formula	C7H4Br2F3N

Trifluoromethylbenzenes

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