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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 – 11 of 11 results
1

1-[4-(Trifluoromethyl)phenyl]ethanol, 96%

CAS: 1737-26-4 Molecular Formula: C9H9F3O Molecular Weight (g/mol): 190.165 MDL Number: MFCD00039618 InChI Key: YMXIDIAEXNLCFT-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol PubChem CID: 137186 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=CC=C(C=C1)C(F)(F)F)O

PubChem CID 137186
CAS 1737-26-4
Molecular Weight (g/mol) 190.165
MDL Number MFCD00039618
SMILES CC(C1=CC=C(C=C1)C(F)(F)F)O
Synonym 1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol
IUPAC Name 1-[4-(trifluoromethyl)phenyl]ethanol
InChI Key YMXIDIAEXNLCFT-UHFFFAOYSA-N
Molecular Formula C9H9F3O
2

1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, 98%

CAS: 368-63-8 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.16 MDL Number: MFCD01632521,MFCD03093011 InChI Key: MMSCIQKQJVBPIR-UHFFFAOYNA-N Synonym: 1-3,5-bis trifluoromethyl phenyl ethanol,3,5-bis trifluoromethyl phenyl ethanol,1-3,5-bis trifluoromethyl phenyl ethan-1-ol,alfa-methyl-3,5-ditrifluoromethylbenzyl alcohol,pubchem4672,pubchem14254,1-3,5-bis-trifluoromethylphenyl ethanol,acmc-209vt9,benzenemethanol, alpha-methyl-3,5-bis trifluoromethyl PubChem CID: 6425739 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethanol SMILES: CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 6425739
CAS 368-63-8
Molecular Weight (g/mol) 258.16
MDL Number MFCD01632521,MFCD03093011
SMILES CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 1-3,5-bis trifluoromethyl phenyl ethanol,3,5-bis trifluoromethyl phenyl ethanol,1-3,5-bis trifluoromethyl phenyl ethan-1-ol,alfa-methyl-3,5-ditrifluoromethylbenzyl alcohol,pubchem4672,pubchem14254,1-3,5-bis-trifluoromethylphenyl ethanol,acmc-209vt9,benzenemethanol, alpha-methyl-3,5-bis trifluoromethyl
IUPAC Name 1-[3,5-bis(trifluoromethyl)phenyl]ethanol
InChI Key MMSCIQKQJVBPIR-UHFFFAOYNA-N
Molecular Formula C10H8F6O
3

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

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

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

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
5

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

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
6

1-[2,5-Bis(trifluoromethyl)phenyl]ethanol, 98%, Thermo Scientific™

CAS: 364-47-6 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.163 MDL Number: MFCD10686545 InChI Key: JQSGCKQDLFXCFT-UHFFFAOYSA-N Synonym: 1-2,5-bis trifluoromethyl phenyl ethanol,1-2,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-2,5-bis trifluoromethyl PubChem CID: 45790936 IUPAC Name: 1-[2,5-bis(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F)O

PubChem CID 45790936
CAS 364-47-6
Molecular Weight (g/mol) 258.163
MDL Number MFCD10686545
SMILES CC(C1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F)O
Synonym 1-2,5-bis trifluoromethyl phenyl ethanol,1-2,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-2,5-bis trifluoromethyl
IUPAC Name 1-[2,5-bis(trifluoromethyl)phenyl]ethanol
InChI Key JQSGCKQDLFXCFT-UHFFFAOYSA-N
Molecular Formula C10H8F6O
8

2-[2-Fluoro-5-(trifluoromethyl)phenyl]ethanol, 94%, Thermo Scientific™

CAS: 886761-79-1 Molecular Formula: C9H8F4O Molecular Weight (g/mol): 208.16 MDL Number: MFCD06660358 InChI Key: YYIXBCMBMSZIOV-UHFFFAOYSA-N Synonym: 2-2-fluoro-5-trifluoromethyl phenyl ethanol,benzeneethanol,2-fluoro-5-trifluoromethyl,2-2-fluoro-5-trifluoromethyl phenyl ethan-1-ol,2-2-fluoro-5-trifluoromethyl-phenyl-ethanol PubChem CID: 17750840 IUPAC Name: 2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol SMILES: OCCC1=C(F)C=CC(=C1)C(F)(F)F

PubChem CID 17750840
CAS 886761-79-1
Molecular Weight (g/mol) 208.16
MDL Number MFCD06660358
SMILES OCCC1=C(F)C=CC(=C1)C(F)(F)F
Synonym 2-2-fluoro-5-trifluoromethyl phenyl ethanol,benzeneethanol,2-fluoro-5-trifluoromethyl,2-2-fluoro-5-trifluoromethyl phenyl ethan-1-ol,2-2-fluoro-5-trifluoromethyl-phenyl-ethanol
IUPAC Name 2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol
InChI Key YYIXBCMBMSZIOV-UHFFFAOYSA-N
Molecular Formula C9H8F4O
9

2-[4-Fluoro-3-(trifluoromethyl)phenyl]ethanol, 90+%, Thermo Scientific™

CAS: 886761-80-4 Molecular Formula: C9H8F4O Molecular Weight (g/mol): 208.16 MDL Number: MFCD06660359 InChI Key: WNWSWMPFXNNAQT-UHFFFAOYSA-N Synonym: 2-4-fluoro-3-trifluoromethyl phenyl ethanol,2-4-fluoro-3-trifluoromethyl phenyl ethan-1-ol PubChem CID: 17999363 IUPAC Name: 2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol SMILES: OCCC1=CC(=C(F)C=C1)C(F)(F)F

PubChem CID 17999363
CAS 886761-80-4
Molecular Weight (g/mol) 208.16
MDL Number MFCD06660359
SMILES OCCC1=CC(=C(F)C=C1)C(F)(F)F
Synonym 2-4-fluoro-3-trifluoromethyl phenyl ethanol,2-4-fluoro-3-trifluoromethyl phenyl ethan-1-ol
IUPAC Name 2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
InChI Key WNWSWMPFXNNAQT-UHFFFAOYSA-N
Molecular Formula C9H8F4O
10

2-[2-Fluoro-4-(trifluoromethyl)phenyl]ethanol, tech. 90%, Thermo Scientific™

CAS: 886761-78-0 Molecular Formula: C9H8F4O Molecular Weight (g/mol): 208.16 MDL Number: MFCD06660357 InChI Key: ZZPFABXJRPFKOI-UHFFFAOYSA-N Synonym: 2-2-fluoro-4-trifluoromethyl phenyl ethanol,2-fluoro-4-trifluoromethyl phenethyl alcohol,2-2-fluoro-4-trifluoromethyl phenyl ethan-1-ol PubChem CID: 17999362 IUPAC Name: 2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol SMILES: OCCC1=C(F)C=C(C=C1)C(F)(F)F

PubChem CID 17999362
CAS 886761-78-0
Molecular Weight (g/mol) 208.16
MDL Number MFCD06660357
SMILES OCCC1=C(F)C=C(C=C1)C(F)(F)F
Synonym 2-2-fluoro-4-trifluoromethyl phenyl ethanol,2-fluoro-4-trifluoromethyl phenethyl alcohol,2-2-fluoro-4-trifluoromethyl phenyl ethan-1-ol
IUPAC Name 2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
InChI Key ZZPFABXJRPFKOI-UHFFFAOYSA-N
Molecular Formula C9H8F4O
11

(±)-Bay K 8644, Thermo Scientific Chemicals

CAS: 71145-03-4 Molecular Formula: C16H15F3N2O4 Molecular Weight (g/mol): 356.301 MDL Number: MFCD00036697 InChI Key: ZFLWDHHVRRZMEI-UHFFFAOYSA-N Synonym: methyl 2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-1,4-dihydropyridine-3-carboxylate,3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-, methyl ester,1,4-dihydro-2,6-dimethyl-5-nitro-4-2′-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester,bay-k-8644, +--isomer,opera_id_789,d01rad,y-bay k 8644,r-+-1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester PubChem CID: 2303 ChEBI: CHEBI:34555 IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

PubChem CID 2303
CAS 71145-03-4
Molecular Weight (g/mol) 356.301
ChEBI CHEBI:34555
MDL Number MFCD00036697
SMILES CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
Synonym methyl 2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-1,4-dihydropyridine-3-carboxylate,3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-, methyl ester,1,4-dihydro-2,6-dimethyl-5-nitro-4-2′-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester,bay-k-8644, +--isomer,opera_id_789,d01rad,y-bay k 8644,r-+-1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester
IUPAC Name methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
InChI Key ZFLWDHHVRRZMEI-UHFFFAOYSA-N
Molecular Formula C16H15F3N2O4