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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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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

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
2
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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

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
3

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
4

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

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
5

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
6

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
7

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

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
8

4-Aminobenzotrifluoride hydrochloride, 97%, ACROS Organics™

CAS: 90774-69-9 Molecular Formula: C7H7ClF3N Molecular Weight (g/mol): 197.585 MDL Number: MFCD00007897 InChI Key: CZGDYZDUMJDQSD-UHFFFAOYSA-N Synonym: 4-aminobenzotrifluoride hydrochloride,4-trifluoromethyl aniline hydrochloride,4-trifluoromethyl anilinium chloride,p-trifluoromethylaniline hydrochloride,4-trifluoromethyl phenylamine, chloride,pubchem2816,4-aminobenzotrifluoride, hydrochloride,4-trifluoromethylaniline hydrochloride,4-trifluoromethyl aniline;hydrochloride,a,a,a-trifluoro-p-toluidine hydrochloride PubChem CID: 2723961 IUPAC Name: 4-(trifluoromethyl)aniline;hydrochloride SMILES: C1=CC(=CC=C1C(F)(F)F)N.Cl

PubChem CID 2723961
CAS 90774-69-9
Molecular Weight (g/mol) 197.585
MDL Number MFCD00007897
SMILES C1=CC(=CC=C1C(F)(F)F)N.Cl
Synonym 4-aminobenzotrifluoride hydrochloride,4-trifluoromethyl aniline hydrochloride,4-trifluoromethyl anilinium chloride,p-trifluoromethylaniline hydrochloride,4-trifluoromethyl phenylamine, chloride,pubchem2816,4-aminobenzotrifluoride, hydrochloride,4-trifluoromethylaniline hydrochloride,4-trifluoromethyl aniline;hydrochloride,a,a,a-trifluoro-p-toluidine hydrochloride
IUPAC Name 4-(trifluoromethyl)aniline;hydrochloride
InChI Key CZGDYZDUMJDQSD-UHFFFAOYSA-N
Molecular Formula C7H7ClF3N
9

4-(Trifluoromethyl)-o-phenylenediamine, 99%, ACROS Organics™

CAS: 368-71-8 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00042456 InChI Key: RQWJHUJJBYMJMN-UHFFFAOYSA-N Synonym: 3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride PubChem CID: 520822 IUPAC Name: 4-(trifluoromethyl)benzene-1,2-diamine SMILES: C1=CC(=C(C=C1C(F)(F)F)N)N

PubChem CID 520822
CAS 368-71-8
Molecular Weight (g/mol) 176.142
MDL Number MFCD00042456
SMILES C1=CC(=C(C=C1C(F)(F)F)N)N
Synonym 3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride
IUPAC Name 4-(trifluoromethyl)benzene-1,2-diamine
InChI Key RQWJHUJJBYMJMN-UHFFFAOYSA-N
Molecular Formula C7H7F3N2
14

alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate, 98%, ACROS Organics™

CAS: 329-01-1 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002020 InChI Key: SXJYSIBLFGQAND-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenyl isocyanate,1-isocyanato-3-trifluoromethyl benzene,benzene, 1-isocyanato-3-trifluoromethyl,a,a,a-trifluoro-m-tolyl isocyanate,isocyanobenzotrifluoride,unii-qps7llz6xm,3-trifluoromethylphenyl isocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isocyanate,3-trifluoromethyl phenylisocyanate,qps7llz6xm PubChem CID: 9483 IUPAC Name: 1-isocyanato-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(=C1)N=C=O

PubChem CID 9483
CAS 329-01-1
Molecular Weight (g/mol) 187.12
MDL Number MFCD00002020
SMILES FC(F)(F)C1=CC=CC(=C1)N=C=O
Synonym 3-trifluoromethyl phenyl isocyanate,1-isocyanato-3-trifluoromethyl benzene,benzene, 1-isocyanato-3-trifluoromethyl,a,a,a-trifluoro-m-tolyl isocyanate,isocyanobenzotrifluoride,unii-qps7llz6xm,3-trifluoromethylphenyl isocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isocyanate,3-trifluoromethyl phenylisocyanate,qps7llz6xm
IUPAC Name 1-isocyanato-3-(trifluoromethyl)benzene
InChI Key SXJYSIBLFGQAND-UHFFFAOYSA-N
Molecular Formula C8H4F3NO
15

α'-Chloro-α,α,α-trifluoro-m-xylene, 97%, ACROS Organics™

CAS: 705-29-3 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00000908 InChI Key: XGASTRVQNVVYIZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride PubChem CID: 69716 IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl

PubChem CID 69716
CAS 705-29-3
Molecular Weight (g/mol) 194.581
MDL Number MFCD00000908
SMILES C1=CC(=CC(=C1)C(F)(F)F)CCl
Synonym 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride
IUPAC Name 1-(chloromethyl)-3-(trifluoromethyl)benzene
InChI Key XGASTRVQNVVYIZ-UHFFFAOYSA-N
Molecular Formula C8H6ClF3