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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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1

3-(Trifluoromethyl)benzyl mercaptan, tech. 90%

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

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

2-Amino-5-fluorobenzotrifluoride 97.0+%, TCI America™

CAS: 393-39-5 Molecular Formula: C7H5F4N Molecular Weight (g/mol): 179.12 MDL Number: MFCD00007831 InChI Key: LRCQLCWUUBSUOY-UHFFFAOYSA-N Synonym: 2-amino-5-fluorobenzotrifluoride,4-fluoro-2-trifluoromethyl aniline,4-fluoro-2-trifluoromethyl-phenylamine,benzenamine, 4-fluoro-2-trifluoromethyl,alpha,alpha,alpha,4-tetrafluoro-o-toluidine,alpha,2-amino-5-fluoro benzotrifluoride,4-fluoro-2-trifluoromethyl phenylamine,alpha,alpha,alpha-4-tetrafluoro-o-toluidine,benzenamine,4-fluoro-2-trifluoromethyl PubChem CID: 67853 IUPAC Name: 4-fluoro-2-(trifluoromethyl)aniline SMILES: NC1=CC=C(F)C=C1C(F)(F)F

PubChem CID 67853
CAS 393-39-5
Molecular Weight (g/mol) 179.12
MDL Number MFCD00007831
SMILES NC1=CC=C(F)C=C1C(F)(F)F
Synonym 2-amino-5-fluorobenzotrifluoride,4-fluoro-2-trifluoromethyl aniline,4-fluoro-2-trifluoromethyl-phenylamine,benzenamine, 4-fluoro-2-trifluoromethyl,alpha,alpha,alpha,4-tetrafluoro-o-toluidine,alpha,2-amino-5-fluoro benzotrifluoride,4-fluoro-2-trifluoromethyl phenylamine,alpha,alpha,alpha-4-tetrafluoro-o-toluidine,benzenamine,4-fluoro-2-trifluoromethyl
IUPAC Name 4-fluoro-2-(trifluoromethyl)aniline
InChI Key LRCQLCWUUBSUOY-UHFFFAOYSA-N
Molecular Formula C7H5F4N
3

1-Nitro-2,5-bis(trifluoromethyl)benzene 98.0+%, TCI America™

CAS: 320-88-7 Molecular Formula: C8H3F6NO2 Molecular Weight (g/mol): 259.107 MDL Number: MFCD00236674 InChI Key: BZKVUOHHNCMTLH-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl nitrobenzene,2-nitro-1,4-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-nitrobenzene,1-nitro-2,5-bis trifluoromethyl benzene,benzene, 2-nitro-1,4-bis trifluoromethyl,2,5-bistrifluoromethylnitrobenzene,pubchem19738,2-nitro-1,4-bis-trifluoromethyl-benzene,acmc-1bn6y,ksc496c8f PubChem CID: 2734048 IUPAC Name: 2-nitro-1,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F

PubChem CID 2734048
CAS 320-88-7
Molecular Weight (g/mol) 259.107
MDL Number MFCD00236674
SMILES C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F
Synonym 2,5-bis trifluoromethyl nitrobenzene,2-nitro-1,4-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-nitrobenzene,1-nitro-2,5-bis trifluoromethyl benzene,benzene, 2-nitro-1,4-bis trifluoromethyl,2,5-bistrifluoromethylnitrobenzene,pubchem19738,2-nitro-1,4-bis-trifluoromethyl-benzene,acmc-1bn6y,ksc496c8f
IUPAC Name 2-nitro-1,4-bis(trifluoromethyl)benzene
InChI Key BZKVUOHHNCMTLH-UHFFFAOYSA-N
Molecular Formula C8H3F6NO2
4

2-(4-Trifluoromethylphenyl)ethylamine 98.0+%, TCI America™

CAS: 775-00-8 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD01529875 InChI Key: HMFOBPNVAAAACP-UHFFFAOYSA-N Synonym: 4-trifluoromethylphenethylamine,2-4-trifluoromethyl-phenyl-ethylamine,2-4-trifluoromethyl phenyl ethanamine,4-trifluoromethyl phenethylamine,2-4-trifluoromethyl-phenyl ethylamine,2-4-trifluoromethylphenyl ethylamine,2-4-trifluoromethyl phenyl ethan-1-amine,2-4-trifluoromethyl phenyl ethylamine,2-4-trifluoromethyl phenyl ethyl amine PubChem CID: 1988106 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]ethanamine SMILES: C1=CC(=CC=C1CCN)C(F)(F)F

PubChem CID 1988106
CAS 775-00-8
Molecular Weight (g/mol) 189.181
MDL Number MFCD01529875
SMILES C1=CC(=CC=C1CCN)C(F)(F)F
Synonym 4-trifluoromethylphenethylamine,2-4-trifluoromethyl-phenyl-ethylamine,2-4-trifluoromethyl phenyl ethanamine,4-trifluoromethyl phenethylamine,2-4-trifluoromethyl-phenyl ethylamine,2-4-trifluoromethylphenyl ethylamine,2-4-trifluoromethyl phenyl ethan-1-amine,2-4-trifluoromethyl phenyl ethylamine,2-4-trifluoromethyl phenyl ethyl amine
IUPAC Name 2-[4-(trifluoromethyl)phenyl]ethanamine
InChI Key HMFOBPNVAAAACP-UHFFFAOYSA-N
Molecular Formula C9H10F3N
5

4-Fluoro-3-(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™

CAS: 67515-56-4 Molecular Formula: C8H3ClF4O Molecular Weight (g/mol): 226.55 MDL Number: MFCD00061159 InChI Key: BUDISZQHCHGLJW-UHFFFAOYSA-N PubChem CID: 144253 IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzoyl chloride SMILES: FC1=CC=C(C=C1C(F)(F)F)C(Cl)=O

PubChem CID 144253
CAS 67515-56-4
Molecular Weight (g/mol) 226.55
MDL Number MFCD00061159
SMILES FC1=CC=C(C=C1C(F)(F)F)C(Cl)=O
IUPAC Name 4-fluoro-3-(trifluoromethyl)benzoyl chloride
InChI Key BUDISZQHCHGLJW-UHFFFAOYSA-N
Molecular Formula C8H3ClF4O
6

4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 97%

CAS: 327-78-6 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00013874 InChI Key: NBJZEUQTGLSUOB-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisocyanate,benzene, 1-chloro-4-isocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethylphenyl isocyanate,4-chloro-3-trifluoromethoxy phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl-benzene,4-chloro-3-trifluoromethyl benzenisocyanate,3-trifluoromethyl-4-chloro-phenyl isocyanate,pubchem5027 PubChem CID: 2733265 IUPAC Name: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl

PubChem CID 2733265
CAS 327-78-6
Molecular Weight (g/mol) 221.563
MDL Number MFCD00013874
SMILES C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisocyanate,benzene, 1-chloro-4-isocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethylphenyl isocyanate,4-chloro-3-trifluoromethoxy phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl-benzene,4-chloro-3-trifluoromethyl benzenisocyanate,3-trifluoromethyl-4-chloro-phenyl isocyanate,pubchem5027
IUPAC Name 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
InChI Key NBJZEUQTGLSUOB-UHFFFAOYSA-N
Molecular Formula C8H3ClF3NO
7

3,5-Bis(trifluoromethyl)-2-chloroaniline 98.0+%, TCI America™

CAS: 201593-90-0 Molecular Formula: C8H4ClF6N Molecular Weight (g/mol): 263.567 InChI Key: JKUFETFGEJPHEM-UHFFFAOYSA-N Synonym: 2-chloro-3,5-bis trifluoromethyl aniline,3,5-bis trifluoromethyl-2-chloroaniline,2-chloro-3,5-bis-trifluoromethyl aniline,benzenamine, 2-chloro-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl-2-chlorophenylamine,pubchem2938,2-chloro-3,5-bis-trifluoromethyl-aniline,3,5-bis trifluoromethyl-2-chloro aniline,2-chloranyl-3,5-bis trifluoromethyl aniline,2-chloro-3,5-bis-trifluoromethyl-phenylamine PubChem CID: 2757429 IUPAC Name: 2-chloro-3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1C(F)(F)F)Cl)N)C(F)(F)F

PubChem CID 2757429
CAS 201593-90-0
Molecular Weight (g/mol) 263.567
SMILES C1=C(C=C(C(=C1C(F)(F)F)Cl)N)C(F)(F)F
Synonym 2-chloro-3,5-bis trifluoromethyl aniline,3,5-bis trifluoromethyl-2-chloroaniline,2-chloro-3,5-bis-trifluoromethyl aniline,benzenamine, 2-chloro-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl-2-chlorophenylamine,pubchem2938,2-chloro-3,5-bis-trifluoromethyl-aniline,3,5-bis trifluoromethyl-2-chloro aniline,2-chloranyl-3,5-bis trifluoromethyl aniline,2-chloro-3,5-bis-trifluoromethyl-phenylamine
IUPAC Name 2-chloro-3,5-bis(trifluoromethyl)aniline
InChI Key JKUFETFGEJPHEM-UHFFFAOYSA-N
Molecular Formula C8H4ClF6N
8

eMolecules​ 3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole | 142623-90-3 | MFCD02679510 | 1g

Chem-Impex | 3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole | 1g | 386899961 | 25816 | | 142623-90-3 | MFCD02679510 | 246.620 | C10H6ClF3N2

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9

eMolecules​ 5-(4-Chloro-phenyl)-3-trifluoromethyl-1H-pyrazole | 142623-90-3 | MFCD07779619 | 1g

Oakwood Chemical | 5-(4-Chloro-phenyl)-3-trifluoromethyl-1H-pyrazole | 1g | 537684977 | 033622 | | 142623-90-3 | MFCD07779619 | 246.620 | C10H6ClF3N2

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10

eMolecules​ (5-Trifluoromethyl-benzo[b]thiophen-2-yl)-methanol | 951122-90-0 | MFCD11841028 | 1g

Apollo Scientific | (5-Trifluoromethyl-benzo[b]thiophen-2-yl)-methanol | 1g | 562430775 | PC446045 | | 951122-90-0 | MFCD11841028 | 232.220 | C10H7F3OS

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11

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

CAS: 15996-78-8 Molecular Formula: C8H8ClF3N Molecular Weight (g/mol): 210.60 MDL Number: MFCD00190123 InChI Key: XOCMZYUQWVACMA-UHFFFAOYSA-O Synonym: 2-chloro-5-trifluoromethyl benzylamine,2-chloro-5-trifluoromethyl phenyl methanamine,2-chloro-5-trifluoromethyl-benzylamine,2-chloro-5-trifluoromethylbenzylamine,2-chloro-5-trifluoromethylbenzyl amine,2-chloro-5-trifluoromethyl benzyl amine,2-chloro-5-trifluoromethyl phenyl methylamine,1-2-chloro-5-trifluoromethyl phenyl methanamine,pubchem4392,rarechem al bw 0385 PubChem CID: 2736682 SMILES: [NH3+]CC1=CC(=CC=C1Cl)C(F)(F)F

PubChem CID 2736682
CAS 15996-78-8
Molecular Weight (g/mol) 210.60
MDL Number MFCD00190123
SMILES [NH3+]CC1=CC(=CC=C1Cl)C(F)(F)F
Synonym 2-chloro-5-trifluoromethyl benzylamine,2-chloro-5-trifluoromethyl phenyl methanamine,2-chloro-5-trifluoromethyl-benzylamine,2-chloro-5-trifluoromethylbenzylamine,2-chloro-5-trifluoromethylbenzyl amine,2-chloro-5-trifluoromethyl benzyl amine,2-chloro-5-trifluoromethyl phenyl methylamine,1-2-chloro-5-trifluoromethyl phenyl methanamine,pubchem4392,rarechem al bw 0385
InChI Key XOCMZYUQWVACMA-UHFFFAOYSA-O
Molecular Formula C8H8ClF3N