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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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

alpha,alpha,alpha-Trifluorotoluene, 99+%

CAS: 98-08-8 Molecular Formula: C₇H₅F₃ Molecular Weight (g/mol): 146.11 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	7368
CAS	98-08-8
Molecular Weight (g/mol)	146.11
ChEBI	CHEBI:36810
MDL Number	MFCD00000372
SMILES	C1=CC=C(C=C1)C(F)(F)F
Synonym	benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene
IUPAC Name	trifluoromethylbenzene
InChI Key	GETTZEONDQJALK-UHFFFAOYSA-N
Molecular Formula	C₇H₅F₃

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

alpha,alpha,alpha-Trifluoro-m-cresol, 98+%

CAS: 98-17-9 Molecular Formula: C₇H₅F₃O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00002299 InChI Key: UGEJOEBBMPOJMT-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol PubChem CID: 7376 IUPAC Name: 3-(trifluoromethyl)phenol SMILES: C1=CC(=CC(=C1)O)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	7376
CAS	98-17-9
Molecular Weight (g/mol)	162.11
MDL Number	MFCD00002299
SMILES	C1=CC(=CC(=C1)O)C(F)(F)F
Synonym	3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol
IUPAC Name	3-(trifluoromethyl)phenol
InChI Key	UGEJOEBBMPOJMT-UHFFFAOYSA-N
Molecular Formula	C₇H₅F₃O

3-Aminobenzotrifluoride, 98%

CAS: 98-16-8 Molecular Formula: C₇H₆F₃N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00007797 InChI Key: VIUDTWATMPPKEL-UHFFFAOYSA-N Synonym: 3-trifluoromethyl aniline,3-aminobenzotrifluoride,m-aminobenzotrifluoride,3-aminotrifluorotoluene,benzenamine, 3-trifluoromethyl,3-trifluoromethyl benzenamine,m-abtf,m-trifluoromethylaniline,m-amino trifluorotoluene,m-trifluoromethyl aniline PubChem CID: 7375 IUPAC Name: 3-(trifluoromethyl)aniline SMILES: C1=CC(=CC(=C1)N)C(F)(F)F

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Specifications

PubChem CID	7375
CAS	98-16-8
Molecular Weight (g/mol)	161.13
MDL Number	MFCD00007797
SMILES	C1=CC(=CC(=C1)N)C(F)(F)F
Synonym	3-trifluoromethyl aniline,3-aminobenzotrifluoride,m-aminobenzotrifluoride,3-aminotrifluorotoluene,benzenamine, 3-trifluoromethyl,3-trifluoromethyl benzenamine,m-abtf,m-trifluoromethylaniline,m-amino trifluorotoluene,m-trifluoromethyl aniline
IUPAC Name	3-(trifluoromethyl)aniline
InChI Key	VIUDTWATMPPKEL-UHFFFAOYSA-N
Molecular Formula	C₇H₆F₃N

2-Aminobenzotrifluoride, 99%

CAS: 88-17-5 Molecular Formula: C₇H₆F₃N Molecular Weight (g/mol): 161.13 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)	161.13
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-Chloro-3-nitrobenzotrifluoride, 98%, Thermo Scientific™

CAS: 121-17-5 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007084 InChI Key: TZGFQIXRVUHDLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride PubChem CID: 8462 IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F

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Specifications

PubChem CID	8462
CAS	121-17-5
Molecular Weight (g/mol)	225.55
MDL Number	MFCD00007084
SMILES	[O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F
Synonym	4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride
IUPAC Name	1-chloro-2-nitro-4-(trifluoromethyl)benzene
InChI Key	TZGFQIXRVUHDLE-UHFFFAOYSA-N
Molecular Formula	C7H3ClF3NO2

2,5-Bis(trifluoromethyl)aniline, 99%

CAS: 328-93-8 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.13 MDL Number: MFCD00074940 InChI Key: XWMVIJUAZAEWIE-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl aniline,2,5-di trifluoromethyl aniline,2,5-bis-trifluoromethyl aniline,2,5-bis-trifluoromethylaniline,benzenamine, 2,5-bis trifluoromethyl,2,5-bis trifluoromethyl-aniline,2,5-bis trifluoromethyl benzenamine,1-amino-2,5-bis trifluoromethyl benzene,2,5-bis trifluoromethyl phenylamine,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylidine PubChem CID: 719818 IUPAC Name: 2,5-bis(trifluoromethyl)aniline SMILES: NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	719818
CAS	328-93-8
Molecular Weight (g/mol)	229.13
MDL Number	MFCD00074940
SMILES	NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F
Synonym	2,5-bis trifluoromethyl aniline,2,5-di trifluoromethyl aniline,2,5-bis-trifluoromethyl aniline,2,5-bis-trifluoromethylaniline,benzenamine, 2,5-bis trifluoromethyl,2,5-bis trifluoromethyl-aniline,2,5-bis trifluoromethyl benzenamine,1-amino-2,5-bis trifluoromethyl benzene,2,5-bis trifluoromethyl phenylamine,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylidine
IUPAC Name	2,5-bis(trifluoromethyl)aniline
InChI Key	XWMVIJUAZAEWIE-UHFFFAOYSA-N
Molecular Formula	C8H5F6N

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

CAS: 328-74-5 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.125 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)	229.125
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

3-Chloro-4-(trifluoromethyl)benzyl bromide, 97%, Thermo Scientific™

CAS: 361393-92-2 Molecular Formula: C8H5BrClF3 Molecular Weight (g/mol): 273.477 MDL Number: MFCD11519327 InChI Key: DRGNXDDQVUFCEF-UHFFFAOYSA-N Synonym: 3-chloro-4-trifluoromethyl benzyl bromide,4-bromomethyl-2-chloro-1-trifluoromethyl benzene,3-chloro-4-trifluoromethylbenzylbromide,3-chloro-4-trifluoromethyl benzyl bromide, jrd,4-bromomethyl-2-chloro-1-trifluoromethyl benzen,benzene, 4-bromomethyl-2-chloro-1-trifluoromethyl PubChem CID: 23512765 IUPAC Name: 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1CBr)Cl)C(F)(F)F

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Specifications

PubChem CID	23512765
CAS	361393-92-2
Molecular Weight (g/mol)	273.477
MDL Number	MFCD11519327
SMILES	C1=CC(=C(C=C1CBr)Cl)C(F)(F)F
Synonym	3-chloro-4-trifluoromethyl benzyl bromide,4-bromomethyl-2-chloro-1-trifluoromethyl benzene,3-chloro-4-trifluoromethylbenzylbromide,3-chloro-4-trifluoromethyl benzyl bromide, jrd,4-bromomethyl-2-chloro-1-trifluoromethyl benzen,benzene, 4-bromomethyl-2-chloro-1-trifluoromethyl
IUPAC Name	4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
InChI Key	DRGNXDDQVUFCEF-UHFFFAOYSA-N
Molecular Formula	C8H5BrClF3

5-Fluoro-2-(trifluoromethyl)phenol, 97%, Thermo Scientific Chemicals

CAS: 243459-91-8 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD00236302 InChI Key: QWLZSSYHAJSEHU-UHFFFAOYSA-N PubChem CID: 2774803 IUPAC Name: 5-fluoro-2-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1F)O)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	2774803
CAS	243459-91-8
Molecular Weight (g/mol)	180.102
MDL Number	MFCD00236302
SMILES	C1=CC(=C(C=C1F)O)C(F)(F)F
IUPAC Name	5-fluoro-2-(trifluoromethyl)phenol
InChI Key	QWLZSSYHAJSEHU-UHFFFAOYSA-N
Molecular Formula	C7H4F4O

3-(Trifluoromethyl)thiophenol, 97%

CAS: 937-00-8 Molecular Formula: C7H5F3S Molecular Weight (g/mol): 178.17 MDL Number: MFCD00041142 InChI Key: SCURCOWZQJIUGR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl thiophenol,3-trifluoromethyl benzenethiol,3-trifluoromethyl benzene-1-thiol,3-trifluoromethylthiophenol,m-trifluoromethylthiophenol,3-mercaptobenzotrifluoride,m-trifluoromethyl benzenethiol,benzenethiol, 3-trifluoromethyl,pubchem4600 PubChem CID: 136751 IUPAC Name: 3-(trifluoromethyl)benzenethiol SMILES: FC(F)(F)C1=CC=CC(S)=C1

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Specifications

PubChem CID	136751
CAS	937-00-8
Molecular Weight (g/mol)	178.17
MDL Number	MFCD00041142
SMILES	FC(F)(F)C1=CC=CC(S)=C1
Synonym	3-trifluoromethyl thiophenol,3-trifluoromethyl benzenethiol,3-trifluoromethyl benzene-1-thiol,3-trifluoromethylthiophenol,m-trifluoromethylthiophenol,3-mercaptobenzotrifluoride,m-trifluoromethyl benzenethiol,benzenethiol, 3-trifluoromethyl,pubchem4600
IUPAC Name	3-(trifluoromethyl)benzenethiol
InChI Key	SCURCOWZQJIUGR-UHFFFAOYSA-N
Molecular Formula	C7H5F3S

5-Fluoro-2-(trifluoromethyl)benzylamine, 97%, Thermo Scientific™

CAS: 231291-14-8 Molecular Formula: C8H7F4N Molecular Weight (g/mol): 193.145 MDL Number: MFCD00236288 InChI Key: ZRDWPCJUMDGSCG-UHFFFAOYSA-N Synonym: 5-fluoro-2-trifluoromethyl benzylamine,5-fluoro-2-trifluoromethyl phenyl methanamine,5-fluoro-2-trifluoromethyl phenyl methylamine,1-5-fluoro-2-trifluoromethyl phenyl methanamine,acmc-1cqk1,ksc494q0r,2-trifluoromethyl-5-fluorobenzylamine,5-fluoro-2-trifluoromethylbenzylamine,5-fluoro-2-trifluoromethyl phenyl methamine PubChem CID: 2737568 IUPAC Name: [5-fluoro-2-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=C(C=C1F)CN)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	2737568
CAS	231291-14-8
Molecular Weight (g/mol)	193.145
MDL Number	MFCD00236288
SMILES	C1=CC(=C(C=C1F)CN)C(F)(F)F
Synonym	5-fluoro-2-trifluoromethyl benzylamine,5-fluoro-2-trifluoromethyl phenyl methanamine,5-fluoro-2-trifluoromethyl phenyl methylamine,1-5-fluoro-2-trifluoromethyl phenyl methanamine,acmc-1cqk1,ksc494q0r,2-trifluoromethyl-5-fluorobenzylamine,5-fluoro-2-trifluoromethylbenzylamine,5-fluoro-2-trifluoromethyl phenyl methamine
IUPAC Name	[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
InChI Key	ZRDWPCJUMDGSCG-UHFFFAOYSA-N
Molecular Formula	C8H7F4N

2-Bromo-5-(trifluoromethyl)phenol, 98%

CAS: 402-05-1 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD09261190 InChI Key: INHVNZLKNPJCJD-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride PubChem CID: 21914470 IUPAC Name: 2-bromo-5-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)O)Br

Pricing and Availability
Specifications

PubChem CID	21914470
CAS	402-05-1
Molecular Weight (g/mol)	241.007
MDL Number	MFCD09261190
SMILES	C1=CC(=C(C=C1C(F)(F)F)O)Br
Synonym	2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride
IUPAC Name	2-bromo-5-(trifluoromethyl)phenol
InChI Key	INHVNZLKNPJCJD-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3O

3-(Trifluoromethyl)thiobenzamide, 97%

CAS: 53515-17-6 Molecular Formula: C8H6F3NS Molecular Weight (g/mol): 205.20 MDL Number: MFCD01567258 InChI Key: WOJQBHSZMFRQIR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl thiobenzamide,3-trifluoromethylthiobenzamide,3-trifluoromethyl benzenecarbothioamide,3-trifluoromethyl benzene-1-carbothioamide,3-trifluoromethyl-thiobenzamide,amino 3-trifluoromethyl phenyl methane-1-thione,acmc-20amye,pubchem5483,maybridge1_008312 PubChem CID: 2777849 IUPAC Name: 3-(trifluoromethyl)benzenecarbothioamide SMILES: NC(=S)C1=CC(=CC=C1)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	2777849
CAS	53515-17-6
Molecular Weight (g/mol)	205.20
MDL Number	MFCD01567258
SMILES	NC(=S)C1=CC(=CC=C1)C(F)(F)F
Synonym	3-trifluoromethyl thiobenzamide,3-trifluoromethylthiobenzamide,3-trifluoromethyl benzenecarbothioamide,3-trifluoromethyl benzene-1-carbothioamide,3-trifluoromethyl-thiobenzamide,amino 3-trifluoromethyl phenyl methane-1-thione,acmc-20amye,pubchem5483,maybridge1_008312
IUPAC Name	3-(trifluoromethyl)benzenecarbothioamide
InChI Key	WOJQBHSZMFRQIR-UHFFFAOYSA-N
Molecular Formula	C8H6F3NS

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