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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

3-(Trifluoromethyl)phenyltrimethylammonium hydroxide, 5% w/v in methanol

CAS: 68254-41-1 Molecular Formula: C10H14F3NO Molecular Weight (g/mol): 221.223 MDL Number: MFCD00059473 InChI Key: BFPOZPZYPNVMHU-UHFFFAOYSA-M Synonym: 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide PubChem CID: 2760772 IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]

PubChem CID 2760772
CAS 68254-41-1
Molecular Weight (g/mol) 221.223
MDL Number MFCD00059473
SMILES C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]
Synonym 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide
IUPAC Name trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide
InChI Key BFPOZPZYPNVMHU-UHFFFAOYSA-M
Molecular Formula C10H14F3NO
3

α,α,α-Trifluorotoluene, ≥99%, Honeywell™

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
4

4'-(Trifluoromethyl)biphenyl-2-carboxylic acid, 98%, Thermo Scientific™

CAS: 84392-17-6 Molecular Formula: C14H9F3O2 Molecular Weight (g/mol): 266.22 MDL Number: MFCD00075353 InChI Key: IQOMYCGTGFGDFN-UHFFFAOYSA-N Synonym: xenalipin,4-trifluoromethyl-2'-biphenylcarboxylic acid,xenalipine,4'-trifluoromethyl-1,1'-biphenyl-2-carboxylic acid,2-4-trifluoromethyl phenyl benzoic acid,4'-trifluoromethyl biphenyl-2-carboxylic acid,4'-trifluoromethyl-2-biphenylcarboxylic acid,2-4-trifluoromethylphenyl benzoic acid,4'-trifluoromethyl 1,1'-biphenyl-2-carboxylic acid,1,1'-biphenyl-2-carboxylic acid, 4'-trifluoromethyl PubChem CID: 55251 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid SMILES: OC(=O)C1=CC=CC=C1C1=CC=C(C=C1)C(F)(F)F

PubChem CID 55251
CAS 84392-17-6
Molecular Weight (g/mol) 266.22
MDL Number MFCD00075353
SMILES OC(=O)C1=CC=CC=C1C1=CC=C(C=C1)C(F)(F)F
Synonym xenalipin,4-trifluoromethyl-2'-biphenylcarboxylic acid,xenalipine,4'-trifluoromethyl-1,1'-biphenyl-2-carboxylic acid,2-4-trifluoromethyl phenyl benzoic acid,4'-trifluoromethyl biphenyl-2-carboxylic acid,4'-trifluoromethyl-2-biphenylcarboxylic acid,2-4-trifluoromethylphenyl benzoic acid,4'-trifluoromethyl 1,1'-biphenyl-2-carboxylic acid,1,1'-biphenyl-2-carboxylic acid, 4'-trifluoromethyl
IUPAC Name 2-[4-(trifluoromethyl)phenyl]benzoic acid
InChI Key IQOMYCGTGFGDFN-UHFFFAOYSA-N
Molecular Formula C14H9F3O2
5

3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 186517-41-9 Molecular Formula: C8H3ClF4O2 Molecular Weight (g/mol): 242.554 MDL Number: MFCD01631342 InChI Key: PCNHWBAPTNAREE-UHFFFAOYSA-N Synonym: 3-chloro-2-fluoro-6-trifluoromethyl benzoic acid,benzoic acid,3-chloro-2-fluoro-6-trifluoromethyl,pubchem8541,rarechem al be 0494,acmc-1bx8a,3-chloro-2-fluoro-6-trifluoromethyl-benzoic acid,benzoic acid, 3-chloro-2-fluoro-6-trifluoromethyl,3-chloranyl-2-fluoranyl-6-trifluoromethyl benzoic acid,3-chloro-2-fluoro-6-trifluoromethyl benzoic acid, 97+% PubChem CID: 2773754 IUPAC Name: 3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C(=C1C(F)(F)F)C(=O)O)F)Cl

PubChem CID 2773754
CAS 186517-41-9
Molecular Weight (g/mol) 242.554
MDL Number MFCD01631342
SMILES C1=CC(=C(C(=C1C(F)(F)F)C(=O)O)F)Cl
Synonym 3-chloro-2-fluoro-6-trifluoromethyl benzoic acid,benzoic acid,3-chloro-2-fluoro-6-trifluoromethyl,pubchem8541,rarechem al be 0494,acmc-1bx8a,3-chloro-2-fluoro-6-trifluoromethyl-benzoic acid,benzoic acid, 3-chloro-2-fluoro-6-trifluoromethyl,3-chloranyl-2-fluoranyl-6-trifluoromethyl benzoic acid,3-chloro-2-fluoro-6-trifluoromethyl benzoic acid, 97+%
IUPAC Name 3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
InChI Key PCNHWBAPTNAREE-UHFFFAOYSA-N
Molecular Formula C8H3ClF4O2
6

3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 129931-45-9 Molecular Formula: C8H3ClF4O2 Molecular Weight (g/mol): 242.554 MDL Number: MFCD01631509 InChI Key: UINXNXRHKMRASA-UHFFFAOYSA-N Synonym: 3-chloro-2-fluoro-5-trifluoromethyl benzoic acid,rarechem al be 0499,3-chloro-2-fluoro-5-trifluoromethyl-benzoic acid,pubchem4559,acmc-20a41y,2-fluoro-3-chloro-5-trifluoromethyl-benzoic acid,benzoic acid,3-chloro-2-fluoro-5-trifluoromethyl,3-chloro-2-fluoro-5-trifluoromethyl benzoicacid PubChem CID: 2773751 IUPAC Name: 3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid SMILES: C1=C(C=C(C(=C1Cl)F)C(=O)O)C(F)(F)F

PubChem CID 2773751
CAS 129931-45-9
Molecular Weight (g/mol) 242.554
MDL Number MFCD01631509
SMILES C1=C(C=C(C(=C1Cl)F)C(=O)O)C(F)(F)F
Synonym 3-chloro-2-fluoro-5-trifluoromethyl benzoic acid,rarechem al be 0499,3-chloro-2-fluoro-5-trifluoromethyl-benzoic acid,pubchem4559,acmc-20a41y,2-fluoro-3-chloro-5-trifluoromethyl-benzoic acid,benzoic acid,3-chloro-2-fluoro-5-trifluoromethyl,3-chloro-2-fluoro-5-trifluoromethyl benzoicacid
IUPAC Name 3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid
InChI Key UINXNXRHKMRASA-UHFFFAOYSA-N
Molecular Formula C8H3ClF4O2