3-(4-Bromophenyl)-3-cyanopropanoic acid

Base Information

• Chemical Name: 3-(4-Bromophenyl)-3-cyanopropanoic acid
• CAS No.: 1003707-16-1
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.08002
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80573388
• Nikkaji Number: J1.561.942B
• Mol file: 1003707-16-1.mol

Synonyms:3-(4-BROMOPHENYL)-3-CYANOPROPANOIC ACID;1003707-16-1;3-(4-BROMOPHENYL)-3-CYANOPROPANOICACID;SCHEMBL17144644;DTXSID80573388;MFCD09955623;AKOS022366351;BS-19030;Benzenepropanoic acid, 4-bromo-beta-cyano-;CS-0205635;F2147-2487

Chemical Property of 3-(4-Bromophenyl)-3-cyanopropanoic acid

Chemical Property:

• Boiling Point: 405.7±35.0 °C(Predicted)
• PKA: 3?+-.0.10(Predicted)
• PSA: 61.09000
• Density: 1.585±0.06 g/cm3(Predicted)
• LogP: 2.53098
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 252.97384
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

99%min ^*data from raw suppliers

3-(4-Bromophenyl)-3-cyanopropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CC(=O)O)C#N)Br