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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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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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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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-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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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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2-(Trifluoromethyl)phenyl isothiocyanate, 98%

CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00039644 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S

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Specifications

PubChem CID	737162
CAS	1743-86-8
Molecular Weight (g/mol)	203.182
MDL Number	MFCD00039644
SMILES	C1=CC=C(C(=C1)C(F)(F)F)N=C=S
Synonym	2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester
IUPAC Name	1-isothiocyanato-2-(trifluoromethyl)benzene
InChI Key	FCEKLQPJGXIQRY-UHFFFAOYSA-N
Molecular Formula	C8H4F3NS

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3-Iodobenzotrifluoride, 98+%

CAS: 401-81-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00001049 InChI Key: IGISPMBUGPHLBY-UHFFFAOYSA-N Synonym: 1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene PubChem CID: 67868 IUPAC Name: 1-iodo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)I)C(F)(F)F

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Specifications

PubChem CID	67868
CAS	401-81-0
Molecular Weight (g/mol)	272.009
MDL Number	MFCD00001049
SMILES	C1=CC(=CC(=C1)I)C(F)(F)F
Synonym	1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene
IUPAC Name	1-iodo-3-(trifluoromethyl)benzene
InChI Key	IGISPMBUGPHLBY-UHFFFAOYSA-N
Molecular Formula	C7H4F3I

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3-Fluorobenzotrifluoride, 99%

CAS: 401-80-9 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000382 InChI Key: GBOWGKOVMBDPJF-UHFFFAOYSA-N Synonym: 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene PubChem CID: 67867 IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene SMILES: FC1=CC=CC(=C1)C(F)(F)F

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PubChem CID	67867
CAS	401-80-9
Molecular Weight (g/mol)	164.10
MDL Number	MFCD00000382
SMILES	FC1=CC=CC(=C1)C(F)(F)F
Synonym	3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene
IUPAC Name	1-fluoro-3-(trifluoromethyl)benzene
InChI Key	GBOWGKOVMBDPJF-UHFFFAOYSA-N
Molecular Formula	C7H4F4

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4-(Trifluoromethyl)benzylamine, 97%

CAS: 3300-51-4 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00010220 InChI Key: PRDBLLIPPDOICK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzylamine,4-trifluoromethylbenzylamine,4-trifluoromethyl phenyl methanamine,1-4-trifluoromethyl phenyl methanamine,4-trifluoromethyl benzyl amine,p-trifluoromethylbenzyl amine,4-trifluoromethyl-benzylamine,p-trifluoromethyl benzylamine,benzenemethanamine, 4-trifluoromethyl PubChem CID: 76804 SMILES: NCC1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	76804
CAS	3300-51-4
Molecular Weight (g/mol)	175.15
MDL Number	MFCD00010220
SMILES	NCC1=CC=C(C=C1)C(F)(F)F
Synonym	4-trifluoromethyl benzylamine,4-trifluoromethylbenzylamine,4-trifluoromethyl phenyl methanamine,1-4-trifluoromethyl phenyl methanamine,4-trifluoromethyl benzyl amine,p-trifluoromethylbenzyl amine,4-trifluoromethyl-benzylamine,p-trifluoromethyl benzylamine,benzenemethanamine, 4-trifluoromethyl
InChI Key	PRDBLLIPPDOICK-UHFFFAOYSA-N
Molecular Formula	C8H8F3N

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3-(Trifluoromethyl)salicylaldehyde, 98+%

CAS: 336628-67-2 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD03788529 InChI Key: ZUNOXMJBNMKYOM-UHFFFAOYSA-N Synonym: 2-hydroxy-3-trifluoromethyl benzaldehyde,3-trifluoromethyl salicylaldehyde,2-hydroxy-3-trifluoromethyl-benzaldehyde,benzaldehyde, 2-hydroxy-3-trifluoromethyl,pubchem10111,2-oxidanyl-3-trifluoromethyl benzaldehyde PubChem CID: 2779274 IUPAC Name: 2-hydroxy-3-(trifluoromethyl)benzaldehyde SMILES: OC1=C(C=O)C=CC=C1C(F)(F)F

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Specifications

PubChem CID	2779274
CAS	336628-67-2
Molecular Weight (g/mol)	190.12
MDL Number	MFCD03788529
SMILES	OC1=C(C=O)C=CC=C1C(F)(F)F
Synonym	2-hydroxy-3-trifluoromethyl benzaldehyde,3-trifluoromethyl salicylaldehyde,2-hydroxy-3-trifluoromethyl-benzaldehyde,benzaldehyde, 2-hydroxy-3-trifluoromethyl,pubchem10111,2-oxidanyl-3-trifluoromethyl benzaldehyde
IUPAC Name	2-hydroxy-3-(trifluoromethyl)benzaldehyde
InChI Key	ZUNOXMJBNMKYOM-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

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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

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4-Iodo-2-(trifluoromethyl)benzonitrile, 97%

CAS: 101066-87-9 Molecular Formula: C8H3F3IN Molecular Weight (g/mol): 297.019 MDL Number: MFCD08458091 InChI Key: RBRTXKYFMXVIER-UHFFFAOYSA-N Synonym: 4-iodo-2-trifluoromethyl benzonitrile,2-cyano-5-iodobenzotrifluoride,benzonitrile, 4-iodo-2-trifluoromethyl,2-trifluoromethyl-4-iodobenzonitrile,4-cyano-3-trifluoromethyl-1-iodobenzene,4-cyano-3-trifluoromethyl iodobenzene,4-iodo-2-trifluoromethyl benzenecarbonitrile,pubchem4810,acmc-1bqw7,ksc494m4b PubChem CID: 16218337 IUPAC Name: 4-iodo-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1I)C(F)(F)F)C#N

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Specifications

PubChem CID	16218337
CAS	101066-87-9
Molecular Weight (g/mol)	297.019
MDL Number	MFCD08458091
SMILES	C1=CC(=C(C=C1I)C(F)(F)F)C#N
Synonym	4-iodo-2-trifluoromethyl benzonitrile,2-cyano-5-iodobenzotrifluoride,benzonitrile, 4-iodo-2-trifluoromethyl,2-trifluoromethyl-4-iodobenzonitrile,4-cyano-3-trifluoromethyl-1-iodobenzene,4-cyano-3-trifluoromethyl iodobenzene,4-iodo-2-trifluoromethyl benzenecarbonitrile,pubchem4810,acmc-1bqw7,ksc494m4b
IUPAC Name	4-iodo-2-(trifluoromethyl)benzonitrile
InChI Key	RBRTXKYFMXVIER-UHFFFAOYSA-N
Molecular Formula	C8H3F3IN

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2-Chloro-3-nitrobenzotrifluoride, 98%

CAS: 39974-35-1 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD14525509 InChI Key: TWABRHQBRWLSSE-UHFFFAOYSA-N PubChem CID: 3016126 IUPAC Name: 2-chloro-1-nitro-3-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC(=C1Cl)C(F)(F)F

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Specifications

PubChem CID	3016126
CAS	39974-35-1
Molecular Weight (g/mol)	225.55
MDL Number	MFCD14525509
SMILES	[O-][N+](=O)C1=CC=CC(=C1Cl)C(F)(F)F
IUPAC Name	2-chloro-1-nitro-3-(trifluoromethyl)benzene
InChI Key	TWABRHQBRWLSSE-UHFFFAOYSA-N
Molecular Formula	C7H3ClF3NO2

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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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