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-Chlorobenzotrifluoride, 99%

CAS: 88-16-4 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000561 InChI Key: DGRVQOKCSKDWIH-UHFFFAOYSA-N Synonym: 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride PubChem CID: 6921 IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Cl

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PubChem CID	6921
CAS	88-16-4
Molecular Weight (g/mol)	180.554
MDL Number	MFCD00000561
SMILES	C1=CC=C(C(=C1)C(F)(F)F)Cl
Synonym	2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride
IUPAC Name	1-chloro-2-(trifluoromethyl)benzene
InChI Key	DGRVQOKCSKDWIH-UHFFFAOYSA-N
Molecular Formula	C7H4ClF3

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3,5-Bis(trifluoromethyl)-o-phenylenediamine, 97%

CAS: 367-65-7 Molecular Formula: C8H6F6N2 Molecular Weight (g/mol): 244.14 MDL Number: MFCD01631430 InChI Key: BRLIJPMFMGTIAW-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl-1,2-diaminobenzene,3,5-bis trifluoromethyl benzene-1,2-diamine,3,5-bis trifluoromethyl-1,2-phenylenediamine,1,2-diamino-3,5-bis trifluoromethyl benzene,1,2-benzenediamine, 3,5-bis trifluoromethyl,acmc-1cr3d,3,5-bis trifluoromethyl-o-phenylenediamine,1,2-benzenediamine,3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylene-1,2-diamine PubChem CID: 2773214 IUPAC Name: 3,5-bis(trifluoromethyl)benzene-1,2-diamine SMILES: NC1=CC(=CC(=C1N)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	2773214
CAS	367-65-7
Molecular Weight (g/mol)	244.14
MDL Number	MFCD01631430
SMILES	NC1=CC(=CC(=C1N)C(F)(F)F)C(F)(F)F
Synonym	3,5-bis trifluoromethyl-1,2-diaminobenzene,3,5-bis trifluoromethyl benzene-1,2-diamine,3,5-bis trifluoromethyl-1,2-phenylenediamine,1,2-diamino-3,5-bis trifluoromethyl benzene,1,2-benzenediamine, 3,5-bis trifluoromethyl,acmc-1cr3d,3,5-bis trifluoromethyl-o-phenylenediamine,1,2-benzenediamine,3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylene-1,2-diamine
IUPAC Name	3,5-bis(trifluoromethyl)benzene-1,2-diamine
InChI Key	BRLIJPMFMGTIAW-UHFFFAOYSA-N
Molecular Formula	C8H6F6N2

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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

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4-Fluorobenzotrifluoride, 98+%

CAS: 402-44-8 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.103 MDL Number: MFCD00000399 InChI Key: UNNNAIWPDLRVRN-UHFFFAOYSA-N Synonym: 4-fluorobenzotrifluoride,1-fluoro-4-trifluoromethyl benzene,p-fluorobenzotrifluoride,benzene, 1-fluoro-4-trifluoromethyl,alpha,alpha,alpha,4-tetrafluorotoluene,p-fluorotrifluoromethylbenzene,p-trifluoromethyl fluorobenzene,4-flourobenzotrifluoride,a,a,a,4-tetrafluorotoluene,4-trifluoromethyl fluorobenzene PubChem CID: 67873 IUPAC Name: 1-fluoro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)F

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Specifications

PubChem CID	67873
CAS	402-44-8
Molecular Weight (g/mol)	164.103
MDL Number	MFCD00000399
SMILES	C1=CC(=CC=C1C(F)(F)F)F
Synonym	4-fluorobenzotrifluoride,1-fluoro-4-trifluoromethyl benzene,p-fluorobenzotrifluoride,benzene, 1-fluoro-4-trifluoromethyl,alpha,alpha,alpha,4-tetrafluorotoluene,p-fluorotrifluoromethylbenzene,p-trifluoromethyl fluorobenzene,4-flourobenzotrifluoride,a,a,a,4-tetrafluorotoluene,4-trifluoromethyl fluorobenzene
IUPAC Name	1-fluoro-4-(trifluoromethyl)benzene
InChI Key	UNNNAIWPDLRVRN-UHFFFAOYSA-N
Molecular Formula	C7H4F4

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3-Bromobenzotrifluoride, 98+%

CAS: 401-78-5 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000380 InChI Key: NNMBNYHMJRJUBC-UHFFFAOYSA-N Synonym: 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene PubChem CID: 9817 IUPAC Name: 1-bromo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)C(F)(F)F

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PubChem CID	9817
CAS	401-78-5
Molecular Weight (g/mol)	225.008
MDL Number	MFCD00000380
SMILES	C1=CC(=CC(=C1)Br)C(F)(F)F
Synonym	3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene
IUPAC Name	1-bromo-3-(trifluoromethyl)benzene
InChI Key	NNMBNYHMJRJUBC-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3

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4-Trifluoromethyl-o-phenylenediamine, 98%

CAS: 368-71-8 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00042456 InChI Key: RQWJHUJJBYMJMN-UHFFFAOYSA-N Synonym: 3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride PubChem CID: 520822 IUPAC Name: 4-(trifluoromethyl)benzene-1,2-diamine SMILES: C1=CC(=C(C=C1C(F)(F)F)N)N

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Specifications

PubChem CID	520822
CAS	368-71-8
Molecular Weight (g/mol)	176.142
MDL Number	MFCD00042456
SMILES	C1=CC(=C(C=C1C(F)(F)F)N)N
Synonym	3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride
IUPAC Name	4-(trifluoromethyl)benzene-1,2-diamine
InChI Key	RQWJHUJJBYMJMN-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2

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Thermo Scientific Chemicals Flutamide

CAS: 13311-84-7 Molecular Formula: C11H11F3N2O3 Molecular Weight (g/mol): 276.22 MDL Number: MFCD00072009 InChI Key: MKXKFYHWDHIYRV-UHFFFAOYSA-N IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide SMILES: CC(C)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O

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Specifications

CAS	13311-84-7
Molecular Weight (g/mol)	276.22
MDL Number	MFCD00072009
SMILES	CC(C)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O
IUPAC Name	2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
InChI Key	MKXKFYHWDHIYRV-UHFFFAOYSA-N
Molecular Formula	C11H11F3N2O3

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4-Fluoro-2-(trifluoromethyl)phenol, 95%, Thermo Scientific Chemicals

CAS: 130047-19-7 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00061290 InChI Key: RNOVGJWJVRESAA-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenol,2-trifluoromethyl-4-fluorophenol,5-fluoro-2-hydroxybenzotrifluoride,pubchem4146,acmc-1bxww,intermediates-zcf02005,ksc495m8f,4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl-phenol PubChem CID: 518675 IUPAC Name: 4-fluoro-2-(trifluoromethyl)phenol SMILES: OC1=C(C=C(F)C=C1)C(F)(F)F

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Specifications

PubChem CID	518675
CAS	130047-19-7
Molecular Weight (g/mol)	180.10
MDL Number	MFCD00061290
SMILES	OC1=C(C=C(F)C=C1)C(F)(F)F
Synonym	4-fluoro-2-trifluoromethyl phenol,2-trifluoromethyl-4-fluorophenol,5-fluoro-2-hydroxybenzotrifluoride,pubchem4146,acmc-1bxww,intermediates-zcf02005,ksc495m8f,4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl-phenol
IUPAC Name	4-fluoro-2-(trifluoromethyl)phenol
InChI Key	RNOVGJWJVRESAA-UHFFFAOYSA-N
Molecular Formula	C7H4F4O

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2-(Trifluoromethyl)phenyl isocyanate, 97%

CAS: 2285-12-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002008 InChI Key: GZWGTVZRRFPVAS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isocyanate,1-isocyanato-2-trifluoromethyl benzene,benzene, 1-isocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isocyanate,o-trifluoromethylphenylisocyanate,isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester,o-trifluoromethyl phenyl isocyanate,2-trifluoromethyl phenylisocyanate,2-trifluoromethyl benzenisocyanate,isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester PubChem CID: 16794 IUPAC Name: 1-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=O

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Specifications

PubChem CID	16794
CAS	2285-12-3
Molecular Weight (g/mol)	187.12
MDL Number	MFCD00002008
SMILES	C1=CC=C(C(=C1)C(F)(F)F)N=C=O
Synonym	2-trifluoromethyl phenyl isocyanate,1-isocyanato-2-trifluoromethyl benzene,benzene, 1-isocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isocyanate,o-trifluoromethylphenylisocyanate,isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester,o-trifluoromethyl phenyl isocyanate,2-trifluoromethyl phenylisocyanate,2-trifluoromethyl benzenisocyanate,isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester
IUPAC Name	1-isocyanato-2-(trifluoromethyl)benzene
InChI Key	GZWGTVZRRFPVAS-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO

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Ethyl 4-(trifluoromethyl)benzoate, 99%

CAS: 583-02-8 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.175 MDL Number: MFCD00013563 InChI Key: ZQDADDSPMCHZPX-UHFFFAOYSA-N Synonym: ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester PubChem CID: 521827 IUPAC Name: ethyl 4-(trifluoromethyl)benzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	521827
CAS	583-02-8
Molecular Weight (g/mol)	218.175
MDL Number	MFCD00013563
SMILES	CCOC(=O)C1=CC=C(C=C1)C(F)(F)F
Synonym	ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester
IUPAC Name	ethyl 4-(trifluoromethyl)benzoate
InChI Key	ZQDADDSPMCHZPX-UHFFFAOYSA-N
Molecular Formula	C10H9F3O2

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4-(Trifluoromethyl)benzyl alcohol, 99%

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2-(Trifluoromethyl)benzonitrile, 97%

CAS: 447-60-9 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001791 InChI Key: SOZGHDCEWOLLHV-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile PubChem CID: 67972 IUPAC Name: 2-(trifluoromethyl)benzonitrile SMILES: C1=CC=C(C(=C1)C#N)C(F)(F)F

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Specifications

PubChem CID	67972
CAS	447-60-9
Molecular Weight (g/mol)	171.122
MDL Number	MFCD00001791
SMILES	C1=CC=C(C(=C1)C#N)C(F)(F)F
Synonym	2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile
IUPAC Name	2-(trifluoromethyl)benzonitrile
InChI Key	SOZGHDCEWOLLHV-UHFFFAOYSA-N
Molecular Formula	C8H4F3N

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4-Nitro-3-(trifluoromethyl)aniline, 98%

CAS: 393-11-3 Molecular Formula: C7H5F3N2O2 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00014717 InChI Key: UTKUVRNVYFTEHF-UHFFFAOYSA-N Synonym: 4-nitro-3-trifluoromethyl aniline,5-amino-2-nitrobenzotrifluoride,3-amino-6-nitrobenzotrifluoride,benzenamine, 4-nitro-3-trifluoromethyl,3-trifluoromethyl-4-nitroaniline,2-nitro-5-amino benzotrifluoride,3-trifluoromethyl-4-nitroanilide,flu-1,3-amino-6-nitro benzotrifluoride PubChem CID: 94955 IUPAC Name: 4-nitro-3-(trifluoromethyl)aniline SMILES: NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O

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Specifications

PubChem CID	94955
CAS	393-11-3
Molecular Weight (g/mol)	206.12
MDL Number	MFCD00014717
SMILES	NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O
Synonym	4-nitro-3-trifluoromethyl aniline,5-amino-2-nitrobenzotrifluoride,3-amino-6-nitrobenzotrifluoride,benzenamine, 4-nitro-3-trifluoromethyl,3-trifluoromethyl-4-nitroaniline,2-nitro-5-amino benzotrifluoride,3-trifluoromethyl-4-nitroanilide,flu-1,3-amino-6-nitro benzotrifluoride
IUPAC Name	4-nitro-3-(trifluoromethyl)aniline
InChI Key	UTKUVRNVYFTEHF-UHFFFAOYSA-N
Molecular Formula	C7H5F3N2O2

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3-(Trifluoromethyl)benzonitrile, 98%

CAS: 368-77-4 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001807 InChI Key: OGOBINRVCUWLGN-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzonitrile,3-cyanobenzotrifluoride,m-trifluoromethylbenzonitrile,alpha,alpha,alpha-trifluoro-m-tolunitrile,benzonitrile, 3-trifluoromethyl,a,a,a-trifluoro-m-tolunitrile,unii-y7zd7dk3ay,alpha,alpha,alpha-trifluoro-m-toluonitrile,y7zd7dk3ay,a,a,a-trifluor-m-tolunitril PubChem CID: 67783 IUPAC Name: 3-(trifluoromethyl)benzonitrile SMILES: C1=CC(=CC(=C1)C(F)(F)F)C#N

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Specifications

PubChem CID	67783
CAS	368-77-4
Molecular Weight (g/mol)	171.122
MDL Number	MFCD00001807
SMILES	C1=CC(=CC(=C1)C(F)(F)F)C#N
Synonym	3-trifluoromethyl benzonitrile,3-cyanobenzotrifluoride,m-trifluoromethylbenzonitrile,alpha,alpha,alpha-trifluoro-m-tolunitrile,benzonitrile, 3-trifluoromethyl,a,a,a-trifluoro-m-tolunitrile,unii-y7zd7dk3ay,alpha,alpha,alpha-trifluoro-m-toluonitrile,y7zd7dk3ay,a,a,a-trifluor-m-tolunitril
IUPAC Name	3-(trifluoromethyl)benzonitrile
InChI Key	OGOBINRVCUWLGN-UHFFFAOYSA-N
Molecular Formula	C8H4F3N

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alpha'-Bromo-alpha,alpha,alpha-trifluoro-p-xylene, 98%

CAS: 402-49-3 Molecular Formula: C₈H₆BrF₃ Molecular Weight (g/mol): 239.04 MDL Number: MFCD00000403 InChI Key: IKSNDOVDVVPSMA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene PubChem CID: 123062 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1CBr)C(F)(F)F

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Specifications

PubChem CID	123062
CAS	402-49-3
Molecular Weight (g/mol)	239.04
MDL Number	MFCD00000403
SMILES	C1=CC(=CC=C1CBr)C(F)(F)F
Synonym	4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene
IUPAC Name	1-(bromomethyl)-4-(trifluoromethyl)benzene
InChI Key	IKSNDOVDVVPSMA-UHFFFAOYSA-N
Molecular Formula	C₈H₆BrF₃

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