4'-Chlorobiphenyl-3-carboxylic acid

Base Information

• Chemical Name: 4'-Chlorobiphenyl-3-carboxylic acid
• CAS No.: 4655-10-1
• Molecular Formula: C13H9ClO2
• Molecular Weight: 232.666
• Hs Code.: 2916399090
• European Community (EC) Number: 800-514-2
• DSSTox Substance ID: DTXSID90373891
• Wikidata: Q82162272
• Mol file: 4655-10-1.mol

Synonyms:4655-10-1;4'-chlorobiphenyl-3-carboxylic acid;4'-chloro-[1,1'-biphenyl]-3-carboxylic acid;3-(4-chlorophenyl)benzoic Acid;4'-Chloro-biphenyl-3-carboxylic acid;3-biphenyl-4'-chloro-carboxylic acid;[1,1'-Biphenyl]-3-carboxylic acid, 4'-chloro-;4'-chloro[1,1'-biphenyl]-3-carboxylic acid;4'-Chloro-[1,1'-biphenyl]-3-carboxylicacid;SCHEMBL307574;DTXSID90373891;OWFMSKZVCPGDEJ-UHFFFAOYSA-N;3-Biphenyl-4'-chloro-carboxylicacid;MFCD03426505;AKOS002679442;AS-2064;BB 0222364;CS-0033713;FT-0635382

Chemical Property of 4'-Chlorobiphenyl-3-carboxylic acid

Chemical Property:

• Melting Point: 248-250 °C(Solv: ethanol (64-17-5))
• Boiling Point: 417.4 °C at 760 mmHg
• PKA: 4.05±0.10(Predicted)
• Flash Point: 206.2 °C
• PSA: 37.30000
• Density: 1.298 g/cm³
• LogP: 3.70520
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.0291072
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

4''-Chlorobiphenyl-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(=CC(=C1)C(=O)O)C2=CC=C(C=C2)Cl
• Uses: 4''-Chlorobiphenyl-3-carboxylic acid