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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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2

4-Fluoro-2-(trifluoromethyl)phenylboronic acid, 97%

CAS: 182344-16-7 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.92 MDL Number: MFCD08062379 InChI Key: SWUPLEAGZOKLNX-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n PubChem CID: 12109469 IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(C=C(F)C=C1)C(F)(F)F

PubChem CID 12109469
CAS 182344-16-7
Molecular Weight (g/mol) 207.92
MDL Number MFCD08062379
SMILES OB(O)C1=C(C=C(F)C=C1)C(F)(F)F
Synonym 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n
IUPAC Name [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI Key SWUPLEAGZOKLNX-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
3
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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
4

4-Amino-2-(trifluoromethyl)benzonitrile, 97%

CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.14 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N

PubChem CID 522170
CAS 654-70-6
Molecular Weight (g/mol) 186.14
SMILES C1=CC(=C(C=C1N)C(F)(F)F)C#N
Synonym 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile
IUPAC Name 4-amino-2-(trifluoromethyl)benzonitrile
InChI Key PMDYLCUKSLBUHO-UHFFFAOYSA-N
Molecular Formula C8H5F3N2
6

2-(Trifluoromethyl)benzoic acid, 98%, Thermo Scientific Chemicals

CAS: 433-97-6 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002476 InChI Key: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid PubChem CID: 9899 ChEBI: CHEBI:60694 IUPAC Name: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F

PubChem CID 9899
CAS 433-97-6
Molecular Weight (g/mol) 190.12
ChEBI CHEBI:60694
MDL Number MFCD00002476
SMILES OC(=O)C1=CC=CC=C1C(F)(F)F
Synonym 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid
IUPAC Name 2-(trifluoromethyl)benzoic acid
InChI Key FBRJYBGLCHWYOE-UHFFFAOYSA-N
Molecular Formula C8H5F3O2
7

2,6-Bis(trifluoromethyl)benzoic acid, 98%

CAS: 24821-22-5 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.11 InChI Key: XZNLSDPNMNWCRE-UHFFFAOYSA-N Synonym: 2,6-bis trifluoromethyl benzoic acid,benzoic acid, 2,6-bis trifluoromethyl,2,6-bis-trifluoromethylbenzoic acid,2,6-di trifluoromethyl benzoic acid,2,6-bis-trifluoromethyl-benzoic acid,2,6-bis trifluoromethyl-benzoic acid,pubchem4988,acmc-1co7v,rarechem al bo 0513,timtec-bb sbb000962 PubChem CID: 90618 IUPAC Name: 2,6-bis(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C(=C1)C(F)(F)F)C(=O)O)C(F)(F)F

PubChem CID 90618
CAS 24821-22-5
Molecular Weight (g/mol) 258.11
SMILES C1=CC(=C(C(=C1)C(F)(F)F)C(=O)O)C(F)(F)F
Synonym 2,6-bis trifluoromethyl benzoic acid,benzoic acid, 2,6-bis trifluoromethyl,2,6-bis-trifluoromethylbenzoic acid,2,6-di trifluoromethyl benzoic acid,2,6-bis-trifluoromethyl-benzoic acid,2,6-bis trifluoromethyl-benzoic acid,pubchem4988,acmc-1co7v,rarechem al bo 0513,timtec-bb sbb000962
IUPAC Name 2,6-bis(trifluoromethyl)benzoic acid
InChI Key XZNLSDPNMNWCRE-UHFFFAOYSA-N
Molecular Formula C9H4F6O2
8

3-Trifluoromethylphenylboronic acid, 97+%

CAS: 1423-26-3 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151854 InChI Key: WOAORAPRPVIATR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride PubChem CID: 2734388 IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 2734388
CAS 1423-26-3
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151854
SMILES OB(O)C1=CC=CC(=C1)C(F)(F)F
Synonym 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride
IUPAC Name [3-(trifluoromethyl)phenyl]boronic acid
InChI Key WOAORAPRPVIATR-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
9

3-Methoxy-5-(trifluoromethyl)phenylboronic acid, 97%

CAS: 871332-97-7 Molecular Formula: C8H8BF3O3 Molecular Weight (g/mol): 219.95 MDL Number: MFCD08056362 InChI Key: GKEMDZIGTOAZRK-UHFFFAOYSA-N Synonym: 3-methoxy-5-trifluoromethyl phenylboronic acid,3-methoxy-5-trifluoromethyl benzeneboronic acid,3-methoxy-5-trifluoromethyl phenyl boronic acid,5-methoxy-3-trifluoromethylbenzeneboronic acid,3-methoxy-5-trifluoromethyl benzeneboronicacid,3-methoxy-5-trifluoromethylphenylboronic acid,boronic acid, 3-methoxy-5-trifluoromethyl phenyl,acmc-209qhq PubChem CID: 44717590 IUPAC Name: [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid SMILES: COC1=CC(=CC(=C1)C(F)(F)F)B(O)O

PubChem CID 44717590
CAS 871332-97-7
Molecular Weight (g/mol) 219.95
MDL Number MFCD08056362
SMILES COC1=CC(=CC(=C1)C(F)(F)F)B(O)O
Synonym 3-methoxy-5-trifluoromethyl phenylboronic acid,3-methoxy-5-trifluoromethyl benzeneboronic acid,3-methoxy-5-trifluoromethyl phenyl boronic acid,5-methoxy-3-trifluoromethylbenzeneboronic acid,3-methoxy-5-trifluoromethyl benzeneboronicacid,3-methoxy-5-trifluoromethylphenylboronic acid,boronic acid, 3-methoxy-5-trifluoromethyl phenyl,acmc-209qhq
IUPAC Name [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI Key GKEMDZIGTOAZRK-UHFFFAOYSA-N
Molecular Formula C8H8BF3O3
10

3-Fluoro-5-(trifluoromethyl)phenylboronic acid, 97%, Thermo Scientific Chemicals

CAS: 159020-59-4 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.92 MDL Number: MFCD06657735 InChI Key: WEMCWZGCSRGJGW-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethyl phenyl boronic acid,3-fluoro-5-trifluoromethyl phenylboronic acid,3-fluoro-5-trifluoromethylphenylboronic acid,3-borono-5-fluorobenzotrifluoride,3-fluoro-5-trifluoromethyl benzeneboronic acid,3-fluoro-5-trifluoromethylphenyl boronic acid,3-trifluoromethyl-5-fluoro-phenylboronic acid,3-fluoro-5-trifluoromethyl benzene boronic acid,5-fluoro-3-trifluoromethylbenzeneboronic acid PubChem CID: 2783192 IUPAC Name: [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(F)=CC(=C1)C(F)(F)F

PubChem CID 2783192
CAS 159020-59-4
Molecular Weight (g/mol) 207.92
MDL Number MFCD06657735
SMILES OB(O)C1=CC(F)=CC(=C1)C(F)(F)F
Synonym 3-fluoro-5-trifluoromethyl phenyl boronic acid,3-fluoro-5-trifluoromethyl phenylboronic acid,3-fluoro-5-trifluoromethylphenylboronic acid,3-borono-5-fluorobenzotrifluoride,3-fluoro-5-trifluoromethyl benzeneboronic acid,3-fluoro-5-trifluoromethylphenyl boronic acid,3-trifluoromethyl-5-fluoro-phenylboronic acid,3-fluoro-5-trifluoromethyl benzene boronic acid,5-fluoro-3-trifluoromethylbenzeneboronic acid
IUPAC Name [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid
InChI Key WEMCWZGCSRGJGW-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
11

3-Fluoro-5-(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™

CAS: 161622-05-5 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00061293 InChI Key: NSGKIIGVPBTOBF-UHFFFAOYSA-M Synonym: 3-fluoro-5-trifluoromethyl benzoic acid,alpha,alpha,alpha,5-tetrafluoro-m-toluic acid,benzoic acid, 3-fluoro-5-trifluoromethyl,5-fluoro-3-trifluoromethyl benzoic acid,maybridge4_001933,acmc-1bwlq,intermediates-zcf02214,ksc496a7r,rarechem al bo 0634,buttpark 32\01-71 PubChem CID: 519222 IUPAC Name: 3-fluoro-5-(trifluoromethyl)benzoic acid SMILES: [O-]C(=O)C1=CC(F)=CC(=C1)C(F)(F)F

PubChem CID 519222
CAS 161622-05-5
Molecular Weight (g/mol) 207.10
MDL Number MFCD00061293
SMILES [O-]C(=O)C1=CC(F)=CC(=C1)C(F)(F)F
Synonym 3-fluoro-5-trifluoromethyl benzoic acid,alpha,alpha,alpha,5-tetrafluoro-m-toluic acid,benzoic acid, 3-fluoro-5-trifluoromethyl,5-fluoro-3-trifluoromethyl benzoic acid,maybridge4_001933,acmc-1bwlq,intermediates-zcf02214,ksc496a7r,rarechem al bo 0634,buttpark 32\01-71
IUPAC Name 3-fluoro-5-(trifluoromethyl)benzoic acid
InChI Key NSGKIIGVPBTOBF-UHFFFAOYSA-M
Molecular Formula C8H3F4O2
13

4-Hydroxy-3-(trifluoromethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 220239-68-9 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD01091008 InChI Key: DPVRVZQEDJVWLS-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethyl benzoic acid,benzoic acid, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzoicacid,acmc-1cdpd,ksc495o6p,4-hydroxy-3-trifluoromethyl-benzoic acid,4-oxidanyl-3-trifluoromethyl benzoic acid PubChem CID: 2775112 IUPAC Name: 4-hydroxy-3-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=C(O)C=C1)C(F)(F)F

PubChem CID 2775112
CAS 220239-68-9
Molecular Weight (g/mol) 206.12
MDL Number MFCD01091008
SMILES OC(=O)C1=CC(=C(O)C=C1)C(F)(F)F
Synonym 4-hydroxy-3-trifluoromethyl benzoic acid,benzoic acid, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzoicacid,acmc-1cdpd,ksc495o6p,4-hydroxy-3-trifluoromethyl-benzoic acid,4-oxidanyl-3-trifluoromethyl benzoic acid
IUPAC Name 4-hydroxy-3-(trifluoromethyl)benzoic acid
InChI Key DPVRVZQEDJVWLS-UHFFFAOYSA-N
Molecular Formula C8H5F3O3
14

4-Chloro-2-(trifluoromethyl)phenylboronic acid, 95%, Thermo Scientific™

CAS: 313545-41-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.38 InChI Key: YAPBOBGBYQQYHX-UHFFFAOYSA-N Synonym: 4-chloro-2-trifluoromethyl phenylboronic acid,4-chloro-2-trifluoromethylphenylboronic acid,4-chloro-2-trifluoromethyl benzeneboronic acid,4-chloro-2-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl-phenylboronic acid,boronic acid, 4-chloro-2-trifluoromethyl phenyl,4-chloro-2-trifluoromethyl phenylboronicacid,pubchem5158,acmc-20aic7 PubChem CID: 2763244 IUPAC Name: [4-chloro-2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)Cl)C(F)(F)F)(O)O

PubChem CID 2763244
CAS 313545-41-4
Molecular Weight (g/mol) 224.38
SMILES B(C1=C(C=C(C=C1)Cl)C(F)(F)F)(O)O
Synonym 4-chloro-2-trifluoromethyl phenylboronic acid,4-chloro-2-trifluoromethylphenylboronic acid,4-chloro-2-trifluoromethyl benzeneboronic acid,4-chloro-2-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl-phenylboronic acid,boronic acid, 4-chloro-2-trifluoromethyl phenyl,4-chloro-2-trifluoromethyl phenylboronicacid,pubchem5158,acmc-20aic7
IUPAC Name [4-chloro-2-(trifluoromethyl)phenyl]boronic acid
InChI Key YAPBOBGBYQQYHX-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2