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-Aminobenzotrifluoride, 99%

CAS: 455-14-1 Molecular Formula: C₇H₆F₃N Molecular Weight (g/mol): 161.13 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)	161.13
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-Trifluoromethylbenzoic anhydride, 97%

CAS: 25753-15-5 Molecular Formula: C16H8F6O3 Molecular Weight (g/mol): 362.23 MDL Number: MFCD09757594 InChI Key: BYLMYFXAIMTZIC-UHFFFAOYSA-N Synonym: 3-trifluoromethylbenzoic anhydride,3-trifluoromethyl benzoic anhydride,benzoic acid, 3-trifluoromethyl-, anhydride,3-trifluoromethyl benzoyl 3-trifluoromethyl benzoate,acmc-1cd8h,3-trifluoromethyl phenyl anhydride #,benzoic acid,3-trifluoromethyl-, anhydride with 3-trifluoromethyl benzoic acid PubChem CID: 599431 IUPAC Name: [3-(trifluoromethyl)benzoyl] 3-(trifluoromethyl)benzoate SMILES: FC(F)(F)C1=CC=CC(=C1)C(=O)OC(=O)C1=CC(=CC=C1)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	599431
CAS	25753-15-5
Molecular Weight (g/mol)	362.23
MDL Number	MFCD09757594
SMILES	FC(F)(F)C1=CC=CC(=C1)C(=O)OC(=O)C1=CC(=CC=C1)C(F)(F)F
Synonym	3-trifluoromethylbenzoic anhydride,3-trifluoromethyl benzoic anhydride,benzoic acid, 3-trifluoromethyl-, anhydride,3-trifluoromethyl benzoyl 3-trifluoromethyl benzoate,acmc-1cd8h,3-trifluoromethyl phenyl anhydride #,benzoic acid,3-trifluoromethyl-, anhydride with 3-trifluoromethyl benzoic acid
IUPAC Name	[3-(trifluoromethyl)benzoyl] 3-(trifluoromethyl)benzoate
InChI Key	BYLMYFXAIMTZIC-UHFFFAOYSA-N
Molecular Formula	C16H8F6O3

2-Amino-4-(trifluoromethyl)thiophenol hydrochloride, 97%

CAS: 4274-38-8 Molecular Formula: C7H7ClF3NS Molecular Weight (g/mol): 229.65 MDL Number: MFCD00042600 InChI Key: FIAGYDIJZOWVAB-UHFFFAOYSA-N Synonym: 2-amino-4-trifluoromethyl benzenethiol hydrochloride,3-amino-4-mercaptobenzotrifluoride hydrochloride,2-amino-4-trifluoromethylthiophenol hydrochloride,2-amino-4-trifluoromethyl benzene-1-thiol hydrochloride,2-amino-4-trifluoromethyl thiophenol hydrochloride,2-amino-4-trifluoromethyl benzene-1-thiol, chloride,pubchem2827,c7h6f3ns.hcl,dsstox_cid_31681,dsstox_rid_97532 PubChem CID: 2734678 IUPAC Name: 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride SMILES: [H+].[Cl-].NC1=CC(=CC=C1S)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	2734678
CAS	4274-38-8
Molecular Weight (g/mol)	229.65
MDL Number	MFCD00042600
SMILES	[H+].[Cl-].NC1=CC(=CC=C1S)C(F)(F)F
Synonym	2-amino-4-trifluoromethyl benzenethiol hydrochloride,3-amino-4-mercaptobenzotrifluoride hydrochloride,2-amino-4-trifluoromethylthiophenol hydrochloride,2-amino-4-trifluoromethyl benzene-1-thiol hydrochloride,2-amino-4-trifluoromethyl thiophenol hydrochloride,2-amino-4-trifluoromethyl benzene-1-thiol, chloride,pubchem2827,c7h6f3ns.hcl,dsstox_cid_31681,dsstox_rid_97532
IUPAC Name	2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride
InChI Key	FIAGYDIJZOWVAB-UHFFFAOYSA-N
Molecular Formula	C7H7ClF3NS

4-Fluoro-2-(trifluoromethyl)phenylboronic acid, 97%

CAS: 182344-16-7 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.92 MDL Number: MFCD08062379 InChI Key: SWUPLEAGZOKLNX-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n PubChem CID: 12109469 IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(C=C(F)C=C1)C(F)(F)F

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Specifications

PubChem CID	12109469
CAS	182344-16-7
Molecular Weight (g/mol)	207.92
MDL Number	MFCD08062379
SMILES	OB(O)C1=C(C=C(F)C=C1)C(F)(F)F
Synonym	4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n
IUPAC Name	[4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI Key	SWUPLEAGZOKLNX-UHFFFAOYSA-N
Molecular Formula	C7H5BF4O2

3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%

CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.119 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	2733314
CAS	16588-74-2
Molecular Weight (g/mol)	255.119
MDL Number	MFCD00013559
SMILES	C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate
IUPAC Name	1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI Key	NRSSOFNMWSJECS-UHFFFAOYSA-N
Molecular Formula	C9H3F6NO

3,5-Bis(trifluoromethyl)benzylamine, 95%

CAS: 85068-29-7 Molecular Formula: C₉H₇F₆N Molecular Weight (g/mol): 243.15 MDL Number: MFCD00009909 InChI Key: DHVHORCFFOSRBP-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine PubChem CID: 521099 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

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Specifications

PubChem CID	521099
CAS	85068-29-7
Molecular Weight (g/mol)	243.15
MDL Number	MFCD00009909
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN
Synonym	3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]methanamine
InChI Key	DHVHORCFFOSRBP-UHFFFAOYSA-N
Molecular Formula	C₉H₇F₆N

3,5-Bis(trifluoromethyl)aniline, 98+%

CAS: 328-74-5 Molecular Formula: C₈H₅F₆N Molecular Weight (g/mol): 229.12 MDL Number: MFCD00000394 InChI Key: CDIDGWDGQGVCIB-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl PubChem CID: 9480 IUPAC Name: 3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F

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Specifications

PubChem CID	9480
CAS	328-74-5
Molecular Weight (g/mol)	229.12
MDL Number	MFCD00000394
SMILES	C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F
Synonym	3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl
IUPAC Name	3,5-bis(trifluoromethyl)aniline
InChI Key	CDIDGWDGQGVCIB-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₆N

4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C₇H₄BrF₃ Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

Pricing and Availability
Specifications

PubChem CID	67872
CAS	402-43-7
Molecular Weight (g/mol)	225.01
MDL Number	MFCD00000398
SMILES	C1=CC(=CC=C1C(F)(F)F)Br
Synonym	4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name	1-bromo-4-(trifluoromethyl)benzene
InChI Key	XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula	C₇H₄BrF₃

2-Methyl-3-nitrobenzotrifluoride, 97%

CAS: 6656-49-1 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD00042322 InChI Key: KQUQBPVYIURTNZ-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzotrifluoride,2-nitro-6-trifluoromethyltoluene,2-methyl-1-nitro-3-trifluoromethyl benzene,2-nitro-6-trifluoromethyl toluene,2-methyl-3-trifluoromethyl nitrobenzene,benzene, 2-methyl-1-nitro-3-trifluoromethyl,alpha,alpha,alpha-trifluoro-3-nitro-o-xylene,3-trifluoromethyl-2-methyl-1-nitrobenzene,pubchem4816,2-methyl-3-nitro-benzotrifluoride PubChem CID: 81171 IUPAC Name: 2-methyl-1-nitro-3-(trifluoromethyl)benzene SMILES: CC1=C(C=CC=C1C(F)(F)F)[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	81171
CAS	6656-49-1
Molecular Weight (g/mol)	205.14
MDL Number	MFCD00042322
SMILES	CC1=C(C=CC=C1C(F)(F)F)[N+]([O-])=O
Synonym	2-methyl-3-nitrobenzotrifluoride,2-nitro-6-trifluoromethyltoluene,2-methyl-1-nitro-3-trifluoromethyl benzene,2-nitro-6-trifluoromethyl toluene,2-methyl-3-trifluoromethyl nitrobenzene,benzene, 2-methyl-1-nitro-3-trifluoromethyl,alpha,alpha,alpha-trifluoro-3-nitro-o-xylene,3-trifluoromethyl-2-methyl-1-nitrobenzene,pubchem4816,2-methyl-3-nitro-benzotrifluoride
IUPAC Name	2-methyl-1-nitro-3-(trifluoromethyl)benzene
InChI Key	KQUQBPVYIURTNZ-UHFFFAOYSA-N
Molecular Formula	C8H6F3NO2

4-Fluoro-3-nitrobenzotrifluoride, 96%

CAS: 367-86-2 Molecular Formula: C₇H₃F₄NO₂ Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007059 InChI Key: HLDFCCHSOZWKAA-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl benzene,benzene, 1-fluoro-2-nitro-4-trifluoromethyl,4-fluoro-3-nitrotrifluoromethylbenzene,3-nitro-4-fluorobenzotrifluoride,3-nitro-alpha,alpha,alpha,4-tetrafluorotoluene,2-fluoro-5-trifluoromethyl nitrobenzene,3-nitro-4-fluoro benzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl-benzene PubChem CID: 67778 IUPAC Name: 1-fluoro-2-nitro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])F

Pricing and Availability
Specifications

PubChem CID	67778
CAS	367-86-2
Molecular Weight (g/mol)	209.1
MDL Number	MFCD00007059
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])F
Synonym	4-fluoro-3-nitrobenzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl benzene,benzene, 1-fluoro-2-nitro-4-trifluoromethyl,4-fluoro-3-nitrotrifluoromethylbenzene,3-nitro-4-fluorobenzotrifluoride,3-nitro-alpha,alpha,alpha,4-tetrafluorotoluene,2-fluoro-5-trifluoromethyl nitrobenzene,3-nitro-4-fluoro benzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl-benzene
IUPAC Name	1-fluoro-2-nitro-4-(trifluoromethyl)benzene
InChI Key	HLDFCCHSOZWKAA-UHFFFAOYSA-N
Molecular Formula	C₇H₃F₄NO₂

3-(Trifluoromethyl)phenylhydrazine, 95%

CAS: 368-78-5 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00025093 InChI Key: RSESUCWJKLHXEZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylhydrazine,3-trifluoromethyl phenyl hydrazine,3-trifluoromethylphenylhydrazine,hydrazine, 3-trifluoromethyl phenyl,3-trifloromethylphenylhydrazine,3-trifluouromethyl phenylhydrazinehydrochloride,3-trifluoromethyl phenylhydrazine hydrochioride,pubchem3280,enamine_001261 PubChem CID: 98650 IUPAC Name: [3-(trifluoromethyl)phenyl]hydrazine SMILES: C1=CC(=CC(=C1)NN)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	98650
CAS	368-78-5
Molecular Weight (g/mol)	176.142
MDL Number	MFCD00025093
SMILES	C1=CC(=CC(=C1)NN)C(F)(F)F
Synonym	3-trifluoromethyl phenylhydrazine,3-trifluoromethyl phenyl hydrazine,3-trifluoromethylphenylhydrazine,hydrazine, 3-trifluoromethyl phenyl,3-trifloromethylphenylhydrazine,3-trifluouromethyl phenylhydrazinehydrochloride,3-trifluoromethyl phenylhydrazine hydrochioride,pubchem3280,enamine_001261
IUPAC Name	[3-(trifluoromethyl)phenyl]hydrazine
InChI Key	RSESUCWJKLHXEZ-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2

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

Pricing and Availability
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

4-Methyl-2-(trifluoromethyl)benzoic acid, 98%

CAS: 120985-64-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD01631591 InChI Key: PHJOGJTZXVBKJO-UHFFFAOYSA-N Synonym: 4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid PubChem CID: 2775591 IUPAC Name: 4-methyl-2-(trifluoromethyl)benzoic acid SMILES: CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	2775591
CAS	120985-64-0
Molecular Weight (g/mol)	204.15
MDL Number	MFCD01631591
SMILES	CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F
Synonym	4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid
IUPAC Name	4-methyl-2-(trifluoromethyl)benzoic acid
InChI Key	PHJOGJTZXVBKJO-UHFFFAOYSA-N
Molecular Formula	C9H7F3O2

4-(Trifluoromethyl)phenyl isothiocyanate, 98+%

CAS: 1645-65-4 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00039645 InChI Key: DQEVDFQAYLIBRD-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-4-trifluoromethyl benzene,4-trifluoromethyl phenylisothiocyanate,4-trifluoromethylphenylisothiocyanate,p-trifluoromethylphenyl isothiocyanate,benzene, 1-isothiocyanato-4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-tolyl isothiocyanate,isothiocyanic acid 4-trifluoromethyl phenyl ester,4-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-4-trifluoromethyl-benzene PubChem CID: 137134 IUPAC Name: 1-isothiocyanato-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)N=C=S

Pricing and Availability
Specifications

PubChem CID	137134
CAS	1645-65-4
Molecular Weight (g/mol)	203.182
MDL Number	MFCD00039645
SMILES	C1=CC(=CC=C1C(F)(F)F)N=C=S
Synonym	4-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-4-trifluoromethyl benzene,4-trifluoromethyl phenylisothiocyanate,4-trifluoromethylphenylisothiocyanate,p-trifluoromethylphenyl isothiocyanate,benzene, 1-isothiocyanato-4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-tolyl isothiocyanate,isothiocyanic acid 4-trifluoromethyl phenyl ester,4-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-4-trifluoromethyl-benzene
IUPAC Name	1-isothiocyanato-4-(trifluoromethyl)benzene
InChI Key	DQEVDFQAYLIBRD-UHFFFAOYSA-N
Molecular Formula	C8H4F3NS

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

Pricing and Availability
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

Trifluoromethylbenzenes

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