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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

TraceCERT™ 2,4-Dichlorobenzotrifluoride, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

2

Bicalutamide Impurity D, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

3

3-(Trifluoromethyl)benzylamine, 98%

CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN

PubChem CID 75962
CAS 2740-83-2
Molecular Weight (g/mol) 175.15
MDL Number MFCD00008117
SMILES C1=CC(=CC(=C1)C(F)(F)F)CN
Synonym 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine
IUPAC Name [3-(trifluoromethyl)phenyl]methanamine
InChI Key YKNZTUQUXUXTLE-UHFFFAOYSA-N
Molecular Formula C8H8F3N
4

2-Bromobenzotrifluoride, 99%, Thermo Scientific Chemicals

CAS: 392-83-6 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000373 InChI Key: RWXUNIMBRXGNEP-UHFFFAOYSA-N Synonym: 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech PubChem CID: 9806 IUPAC Name: 1-bromo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br

PubChem CID 9806
CAS 392-83-6
Molecular Weight (g/mol) 225.01
MDL Number MFCD00000373
SMILES C1=CC=C(C(=C1)C(F)(F)F)Br
Synonym 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech
IUPAC Name 1-bromo-2-(trifluoromethyl)benzene
InChI Key RWXUNIMBRXGNEP-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
5

Benzotrifluoride, 99%

CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 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) 146.112
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
6

2-(Trifluoromethyl)phenylhydrazine, 97%

CAS: 365-34-4 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00052687 InChI Key: JSWQDLBFVSTSIW-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine PubChem CID: 520800 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN

PubChem CID 520800
CAS 365-34-4
Molecular Weight (g/mol) 176.142
MDL Number MFCD00052687
SMILES C1=CC=C(C(=C1)C(F)(F)F)NN
Synonym 2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine
IUPAC Name [2-(trifluoromethyl)phenyl]hydrazine
InChI Key JSWQDLBFVSTSIW-UHFFFAOYSA-N
Molecular Formula C7H7F3N2
7

4-(Trifluoromethyl)phenol, 98%

CAS: 402-45-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00002363 InChI Key: BAYGVMXZJBFEMB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol PubChem CID: 67874 ChEBI: CHEBI:42578 IUPAC Name: 4-(trifluoromethyl)phenol SMILES: C1=CC(=CC=C1C(F)(F)F)O

PubChem CID 67874
CAS 402-45-9
Molecular Weight (g/mol) 162.11
ChEBI CHEBI:42578
MDL Number MFCD00002363
SMILES C1=CC(=CC=C1C(F)(F)F)O
Synonym 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol
IUPAC Name 4-(trifluoromethyl)phenol
InChI Key BAYGVMXZJBFEMB-UHFFFAOYSA-N
Molecular Formula C7H5F3O
8

3-Fluorobenzotrifluoride, 99%

CAS: 401-80-9 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000382 InChI Key: GBOWGKOVMBDPJF-UHFFFAOYSA-N Synonym: 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene PubChem CID: 67867 IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene SMILES: FC1=CC=CC(=C1)C(F)(F)F

PubChem CID 67867
CAS 401-80-9
Molecular Weight (g/mol) 164.10
MDL Number MFCD00000382
SMILES FC1=CC=CC(=C1)C(F)(F)F
Synonym 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene
IUPAC Name 1-fluoro-3-(trifluoromethyl)benzene
InChI Key GBOWGKOVMBDPJF-UHFFFAOYSA-N
Molecular Formula C7H4F4
9

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
10

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
11

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
12

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
13

4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

PubChem CID 67872
CAS 402-43-7
Molecular Weight (g/mol) 225.01
MDL Number MFCD00000398
SMILES C1=CC(=CC=C1C(F)(F)F)Br
Synonym 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name 1-bromo-4-(trifluoromethyl)benzene
InChI Key XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
14

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
15

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

CAS: 328-74-5 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.12 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

PubChem CID 9480
CAS 328-74-5
Molecular Weight (g/mol) 229.12
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