2'-Trifluoromethyl-biphenyl-3-carboxylic acid

Base Information

• Chemical Name: 2'-Trifluoromethyl-biphenyl-3-carboxylic acid
• CAS No.: 168618-48-2
• Molecular Formula: C14H9 F3 O2
• Molecular Weight: 266.2153
• Hs Code.: 2916399090
• European Community (EC) Number: 672-176-2
• DSSTox Substance ID: DTXSID40382231
• Wikidata: Q82173539
• Mol file: 168618-48-2.mol

Synonyms:168618-48-2;2'-Trifluoromethyl-biphenyl-3-carboxylic acid;2'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid;3-[2-(trifluoromethyl)phenyl]benzoic Acid;2'-(Trifluoromethyl)biphenyl-3-carboxylic acid;2'-trifluoromethylbiphenyl-3-carboxylic acid;2/'-TRIFLUOROMETHYL-BIPHENYL-3-CARBOXYLIC ACID;[1,1'-Biphenyl]-3-carboxylic acid, 2'-(trifluoromethyl)-;SCHEMBL121673;2'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid;2'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid;DTXSID40382231;XBRHCGOUOTVEJW-UHFFFAOYSA-N;MFCD03424602;AKOS004119301;AB92607;DS-0162;2-Trifluoromethylbiphenyl-3-carboxylicacid;AM807752;BB 0222371;CS-0186456;FT-0643609;2`-Trifluoromethyl-biphenyl-3-carboxylic acid;J-010470;2'-trifluoromethyl [1,1'-biphenyl]-3-carboxylic acid;[1,1'-Biphenyl]-3-carboxylicacid,2'-(trifluoromethyl)-

Chemical Property of 2'-Trifluoromethyl-biphenyl-3-carboxylic acid

Chemical Property:

• Boiling Point: 398.2°Cat760mmHg
• PKA: 4.04±0.10(Predicted)
• Flash Point: 194.6°C
• PSA: 37.30000
• Density: 1.326g/cm³
• LogP: 4.07060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 266.05546401
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

98%min ^*data from raw suppliers

2''-(Trifluoromethyl)-[1,1''-biphenyl]-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)O)C(F)(F)F