3-Chloro-2-cyanophenylboronic acid

Base Information

• Chemical Name: 3-Chloro-2-cyanophenylboronic acid
• CAS No.: 1217500-67-8
• Molecular Formula: C7H5BClNO2
• Molecular Weight: 181.3841
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50681545
• Wikidata: Q82605623
• Mol file: 1217500-67-8.mol

Synonyms:1217500-67-8;3-CHLORO-2-CYANOPHENYLBORONIC ACID;(3-Chloro-2-cyanophenyl)boronic acid;(3-Chloro-2-cyanophenyl)boronicacid;SCHEMBL1821215;DTXSID50681545;MFCD10696670;AKOS006305063;AB57886;BS-21052;CS-0120252;D71632;A891509

Chemical Property of 3-Chloro-2-cyanophenylboronic acid

Chemical Property:

• Boiling Point: 425.2±55.0 °C(Predicted)
• PKA: 7.00±0.58(Predicted)
• PSA: 64.25000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: -0.10852
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.0101863
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-2-cyanophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C(=CC=C1)Cl)C#N)(O)O