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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

1-Nitro-3,5-bis(trifluoromethyl)benzene 97.0+%, TCI America™

CAS: 328-75-6 Molecular Formula: C8H3F6NO2 Molecular Weight (g/mol): 259.11 MDL Number: MFCD00000384 InChI Key: GMUWJDVVXLBMEZ-UHFFFAOYSA-N Synonym: 1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene PubChem CID: 67603 IUPAC Name: 1-nitro-3,5-bis(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 67603
CAS 328-75-6
Molecular Weight (g/mol) 259.11
MDL Number MFCD00000384
SMILES [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene
IUPAC Name 1-nitro-3,5-bis(trifluoromethyl)benzene
InChI Key GMUWJDVVXLBMEZ-UHFFFAOYSA-N
Molecular Formula C8H3F6NO2
2

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

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
3

2,5-Bis(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™

CAS: 393-82-8 Molecular Formula: C9H3ClF6O Molecular Weight (g/mol): 276.562 MDL Number: MFCD00074997 InChI Key: LRJNPOCQOZWIGR-UHFFFAOYSA-N PubChem CID: 2737812 IUPAC Name: 2,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F

PubChem CID 2737812
CAS 393-82-8
Molecular Weight (g/mol) 276.562
MDL Number MFCD00074997
SMILES C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F
IUPAC Name 2,5-bis(trifluoromethyl)benzoyl chloride
InChI Key LRJNPOCQOZWIGR-UHFFFAOYSA-N
Molecular Formula C9H3ClF6O
4

2-(Trifluoromethyl)benzyl Bromide 97.0+%, TCI America™

CAS: 395-44-8 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.04 MDL Number: MFCD00013558 InChI Key: TXVVVEUSVBLDED-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzyl bromide,1-bromomethyl-2-trifluoromethyl benzene,2-trifluoromethylbenzyl bromide,2-trifluoromethyl benzylbromide,o-trifluoromethylbenzyl bromide,benzene, 1-bromomethyl-2-trifluoromethyl,o-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-o-xylene,1-bromomethyl-2-trifluoromethyl-benzene,a'-bromo-a,a,a-trifluoro-o-xylene PubChem CID: 123057 IUPAC Name: 1-(bromomethyl)-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC=C1CBr

PubChem CID 123057
CAS 395-44-8
Molecular Weight (g/mol) 239.04
MDL Number MFCD00013558
SMILES FC(F)(F)C1=CC=CC=C1CBr
Synonym 2-trifluoromethyl benzyl bromide,1-bromomethyl-2-trifluoromethyl benzene,2-trifluoromethylbenzyl bromide,2-trifluoromethyl benzylbromide,o-trifluoromethylbenzyl bromide,benzene, 1-bromomethyl-2-trifluoromethyl,o-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-o-xylene,1-bromomethyl-2-trifluoromethyl-benzene,a'-bromo-a,a,a-trifluoro-o-xylene
IUPAC Name 1-(bromomethyl)-2-(trifluoromethyl)benzene
InChI Key TXVVVEUSVBLDED-UHFFFAOYSA-N
Molecular Formula C8H6BrF3