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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

4-Trifluoromethylphenylboronic acid, 98%, Thermo Scientific Chemicals

CAS: 128796-39-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151855 InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid PubChem CID: 2734389 IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 2734389
CAS 128796-39-4
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151855
SMILES OB(O)C1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid
IUPAC Name [4-(trifluoromethyl)phenyl]boronic acid
InChI Key ALMFIOZYDASRRC-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
2

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-Chlorobenzotrifluoride, 98+%

CAS: 98-56-6 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000627 InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonym: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene PubChem CID: 7394 IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl

PubChem CID 7394
CAS 98-56-6
Molecular Weight (g/mol) 180.554
MDL Number MFCD00000627
SMILES C1=CC(=CC=C1C(F)(F)F)Cl
Synonym 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene
IUPAC Name 1-chloro-4-(trifluoromethyl)benzene
InChI Key QULYNCCPRWKEMF-UHFFFAOYSA-N
Molecular Formula C7H4ClF3
4

2-Bromobenzotrifluoride, 98%

CAS: 392-83-6 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 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) 225.008
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

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
6

2-Chlorobenzotrifluoride, 99%

CAS: 88-16-4 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000561 InChI Key: DGRVQOKCSKDWIH-UHFFFAOYSA-N Synonym: 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride PubChem CID: 6921 IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Cl

PubChem CID 6921
CAS 88-16-4
Molecular Weight (g/mol) 180.554
MDL Number MFCD00000561
SMILES C1=CC=C(C(=C1)C(F)(F)F)Cl
Synonym 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride
IUPAC Name 1-chloro-2-(trifluoromethyl)benzene
InChI Key DGRVQOKCSKDWIH-UHFFFAOYSA-N
Molecular Formula C7H4ClF3
7

3-(Trifluoromethyl)aniline, 99%

CAS: 98-16-8 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 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) 161.127
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
8

1,3-Bis(trifluoromethyl)benzene 98.0+%, TCI America™

CAS: 402-31-3 Molecular Formula: C8H4F6 Molecular Weight (g/mol): 214.11 MDL Number: MFCD00000392 InChI Key: SJBBXFLOLUTGCW-UHFFFAOYSA-N Synonym: 1,3-bis trifluoromethyl benzene,benzene, 1,3-bis trifluoromethyl,1,3-di trifluoromethyl benzene,1,3-bis trifluoromethyl-benzene,m-bis trifluoromethyl benzene,m-ditrifluoromethylbenzene,hexafluoro-m-xylene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene,mtf-tfm,a,a,a,a',a',a'-hexafluoro-m-xylene PubChem CID: 223106 IUPAC Name: 1,3-bis(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 223106
CAS 402-31-3
Molecular Weight (g/mol) 214.11
MDL Number MFCD00000392
SMILES C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 1,3-bis trifluoromethyl benzene,benzene, 1,3-bis trifluoromethyl,1,3-di trifluoromethyl benzene,1,3-bis trifluoromethyl-benzene,m-bis trifluoromethyl benzene,m-ditrifluoromethylbenzene,hexafluoro-m-xylene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene,mtf-tfm,a,a,a,a',a',a'-hexafluoro-m-xylene
IUPAC Name 1,3-bis(trifluoromethyl)benzene
InChI Key SJBBXFLOLUTGCW-UHFFFAOYSA-N
Molecular Formula C8H4F6
9

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.

10

3-Bromobenzotrifluoride, 98+%

CAS: 401-78-5 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000380 InChI Key: NNMBNYHMJRJUBC-UHFFFAOYSA-N Synonym: 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene PubChem CID: 9817 IUPAC Name: 1-bromo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)C(F)(F)F

PubChem CID 9817
CAS 401-78-5
Molecular Weight (g/mol) 225.008
MDL Number MFCD00000380
SMILES C1=CC(=CC(=C1)Br)C(F)(F)F
Synonym 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene
IUPAC Name 1-bromo-3-(trifluoromethyl)benzene
InChI Key NNMBNYHMJRJUBC-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
11

3,4-Dichlorobenzotrifluoride 98.0+%, TCI America™

CAS: 328-84-7 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000555 InChI Key: XILPLWOGHPSJBK-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzotrifluoride,1,2-dichloro-4-trifluoromethyl benzene,benzene, 1,2-dichloro-4-trifluoromethyl,3,4-dichloro-alpha,alpha,alpha-trifluorotoluene,3,4-dichlorotrifluoromethylbenzene,unii-7g60xcu4gg,3,4-dichlorophenyltrifluoromethane,7g60xcu4gg,3,4-dichloro-1-trifluoromethyl benzene,3,4-dcbte PubChem CID: 9481 IUPAC Name: 1,2-dichloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)Cl

PubChem CID 9481
CAS 328-84-7
Molecular Weight (g/mol) 214.996
MDL Number MFCD00000555
SMILES C1=CC(=C(C=C1C(F)(F)F)Cl)Cl
Synonym 3,4-dichlorobenzotrifluoride,1,2-dichloro-4-trifluoromethyl benzene,benzene, 1,2-dichloro-4-trifluoromethyl,3,4-dichloro-alpha,alpha,alpha-trifluorotoluene,3,4-dichlorotrifluoromethylbenzene,unii-7g60xcu4gg,3,4-dichlorophenyltrifluoromethane,7g60xcu4gg,3,4-dichloro-1-trifluoromethyl benzene,3,4-dcbte
IUPAC Name 1,2-dichloro-4-(trifluoromethyl)benzene
InChI Key XILPLWOGHPSJBK-UHFFFAOYSA-N
Molecular Formula C7H3Cl2F3
12

4-Chlorobenzotrifluoride 98.0+%, TCI America™

CAS: 98-56-6 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000627 InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonym: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene PubChem CID: 7394 IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl

PubChem CID 7394
CAS 98-56-6
Molecular Weight (g/mol) 180.554
MDL Number MFCD00000627
SMILES C1=CC(=CC=C1C(F)(F)F)Cl
Synonym 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene
IUPAC Name 1-chloro-4-(trifluoromethyl)benzene
InChI Key QULYNCCPRWKEMF-UHFFFAOYSA-N
Molecular Formula C7H4ClF3
13

3-Amino-4-chlorobenzotrifluoride 98.0+%, TCI America™

CAS: 121-50-6 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.569 MDL Number: MFCD00007673 InChI Key: VKTTYIXIDXWHKW-UHFFFAOYSA-N Synonym: 3-amino-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl aniline,fast orange rd oil,fast orange salt rd,orange salt nrd,benzenamine, 2-chloro-5-trifluoromethyl,fast orange rd salt,daito orange salt rd,diazo fast orange rd,fast orange salt rda PubChem CID: 8475 IUPAC Name: 2-chloro-5-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)N)Cl

PubChem CID 8475
CAS 121-50-6
Molecular Weight (g/mol) 195.569
MDL Number MFCD00007673
SMILES C1=CC(=C(C=C1C(F)(F)F)N)Cl
Synonym 3-amino-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl aniline,fast orange rd oil,fast orange salt rd,orange salt nrd,benzenamine, 2-chloro-5-trifluoromethyl,fast orange rd salt,daito orange salt rd,diazo fast orange rd,fast orange salt rda
IUPAC Name 2-chloro-5-(trifluoromethyl)aniline
InChI Key VKTTYIXIDXWHKW-UHFFFAOYSA-N
Molecular Formula C7H5ClF3N
14

Benzotrifluoride 98.0+%, TCI America™

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
15

2-Chlorobenzotrifluoride 98.0+%, TCI America™

CAS: 88-16-4 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000561 InChI Key: DGRVQOKCSKDWIH-UHFFFAOYSA-N Synonym: 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride PubChem CID: 6921 IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Cl

PubChem CID 6921
CAS 88-16-4
Molecular Weight (g/mol) 180.554
MDL Number MFCD00000561
SMILES C1=CC=C(C(=C1)C(F)(F)F)Cl
Synonym 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride
IUPAC Name 1-chloro-2-(trifluoromethyl)benzene
InChI Key DGRVQOKCSKDWIH-UHFFFAOYSA-N
Molecular Formula C7H4ClF3