3'-Bromobiphenyl-3-carboxylic acid

Base Information

• Chemical Name: 3'-Bromobiphenyl-3-carboxylic acid
• CAS No.: 854237-06-2
• Molecular Formula: C₁₃H₉BrO₂
• Molecular Weight: 277.117
• Hs Code.: 2916399090
• European Community (EC) Number: 694-126-9
• DSSTox Substance ID: DTXSID80408388
• Wikidata: Q82213858
• Mol file: 854237-06-2.mol

Synonyms:3'-BROMOBIPHENYL-3-CARBOXYLIC ACID;854237-06-2;3-(3-bromophenyl)benzoic Acid;3'-Bromo-biphenyl-3-carboxylic acid;MFCD00093210;3'-bromo-[1,1'-biphenyl]-3-carboxylic acid;SCHEMBL15772807;DTXSID80408388;AKOS002678275;AS-2065;SY317238;3'-Bromobiphenyl-3-carboxylic acid, 96%;3-(4-METHOXYPHENYL)PROPIONYLCHLORIDE;CS-0132843;D86676;3 inverted exclamation mark -Bromobiphenyl-3-carboxylic Acid

Chemical Property of 3'-Bromobiphenyl-3-carboxylic acid

Chemical Property:

• Melting Point: 192-196°C
• Boiling Point: 426.2±28.0 °C(Predicted)
• PKA: 4.11±0.10(Predicted)
• PSA: 37.30000
• Density: 1.510±0.06 g/cm3(Predicted)
• LogP: 3.81430
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 275.97859
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

3′-Bromobiphenyl-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-36-51
• Safety Statements: 53-26-61

MSDS Files:

SDS file from LookChem

Useful:

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