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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

3-Fluoro-5-(trifluoromethyl)benzyl Bromide 98.0+%, TCI America™

CAS: 239087-09-3 Molecular Formula: C8H5BrF4 Molecular Weight (g/mol): 257.026 MDL Number: MFCD00061175 InChI Key: LCVWAXYGYMZJER-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethyl benzyl bromide,1-bromomethyl-3-fluoro-5-trifluoromethyl benzene,3-fluoro-5-trifluoromethylbenzyl bromide,3-fluoro-5-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-3-fluoro-5-trifluoromethyl,acmc-1cdjv,3-trifluoromethyl-5-fluorobenzyl bromide,3-fluoro-5-trifluoromethyl-benzyl bromide,5-bromomethyl-3-fluoro-1-trifluoromethyl benzene PubChem CID: 2737575 IUPAC Name: 1-(bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CBr

PubChem CID 2737575
CAS 239087-09-3
Molecular Weight (g/mol) 257.026
MDL Number MFCD00061175
SMILES C1=C(C=C(C=C1C(F)(F)F)F)CBr
Synonym 3-fluoro-5-trifluoromethyl benzyl bromide,1-bromomethyl-3-fluoro-5-trifluoromethyl benzene,3-fluoro-5-trifluoromethylbenzyl bromide,3-fluoro-5-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-3-fluoro-5-trifluoromethyl,acmc-1cdjv,3-trifluoromethyl-5-fluorobenzyl bromide,3-fluoro-5-trifluoromethyl-benzyl bromide,5-bromomethyl-3-fluoro-1-trifluoromethyl benzene
IUPAC Name 1-(bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene
InChI Key LCVWAXYGYMZJER-UHFFFAOYSA-N
Molecular Formula C8H5BrF4
2

5-Fluoro-2-nitrobenzotrifluoride 98.0+%, TCI America™

CAS: 393-09-9 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00039741 InChI Key: WMQOSURXFLBTPC-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol PubChem CID: 223094 IUPAC Name: 4-fluoro-1-nitro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]

PubChem CID 223094
CAS 393-09-9
Molecular Weight (g/mol) 209.1
MDL Number MFCD00039741
SMILES C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]
Synonym 5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol
IUPAC Name 4-fluoro-1-nitro-2-(trifluoromethyl)benzene
InChI Key WMQOSURXFLBTPC-UHFFFAOYSA-N
Molecular Formula C7H3F4NO2
3
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2-(Trifluoromethyl)benzoic acid, 98%

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
4
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4-(Trifluoromethyl)benzoic acid, 98%

CAS: 455-24-3 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002562 InChI Key: SWKPKONEIZGROQ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride PubChem CID: 9966 ChEBI: CHEBI:60696 IUPAC Name: 4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F

PubChem CID 9966
CAS 455-24-3
Molecular Weight (g/mol) 190.12
ChEBI CHEBI:60696
MDL Number MFCD00002562
SMILES C1=CC(=CC=C1C(=O)O)C(F)(F)F
Synonym 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride
IUPAC Name 4-(trifluoromethyl)benzoic acid
InChI Key SWKPKONEIZGROQ-UHFFFAOYSA-N
Molecular Formula C8H5F3O2
5
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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
6

3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride 98.0+%, TCI America™

CAS: 4284-09-7 Molecular Formula: C7ClF7 Molecular Weight (g/mol): 252.52 MDL Number: MFCD03094143 InChI Key: WFPMVEWSBGBVKV-UHFFFAOYSA-N Synonym: 3-Chloro-alpha,alpha,alpha,2,4,5,6-heptafluorotoluene PubChem CID: 2778195 IUPAC Name: 1-chloro-2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzene SMILES: C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(F)(F)F

PubChem CID 2778195
CAS 4284-09-7
Molecular Weight (g/mol) 252.52
MDL Number MFCD03094143
SMILES C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(F)(F)F
Synonym 3-Chloro-alpha,alpha,alpha,2,4,5,6-heptafluorotoluene
IUPAC Name 1-chloro-2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzene
InChI Key WFPMVEWSBGBVKV-UHFFFAOYSA-N
Molecular Formula C7ClF7
7

3,5-Difluoro-4-(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™

CAS: 261945-09-9 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD01631619 InChI Key: MKESWMDKZFRERU-UHFFFAOYSA-N PubChem CID: 23443746 IUPAC Name: 3,5-difluoro-4-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(F)=C(C(F)=C1)C(F)(F)F

PubChem CID 23443746
CAS 261945-09-9
Molecular Weight (g/mol) 226.10
MDL Number MFCD01631619
SMILES OC(=O)C1=CC(F)=C(C(F)=C1)C(F)(F)F
IUPAC Name 3,5-difluoro-4-(trifluoromethyl)benzoic acid
InChI Key MKESWMDKZFRERU-UHFFFAOYSA-N
Molecular Formula C8H3F5O2
8

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

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