5-Chloro-2-cyanophenylboronic acid

Base Information

• Chemical Name: 5-Chloro-2-cyanophenylboronic acid
• CAS No.: 1072946-52-1
• Molecular Formula: C7H5BClNO2
• Molecular Weight: 181.38
• DSSTox Substance ID: DTXSID50674578
• Wikidata: Q82596463
• Mol file: 1072946-52-1.mol

Synonyms:5-Chloro-2-cyanophenylboronic acid;1072946-52-1;(5-Chloro-2-cyanophenyl)boronic acid;(5-Chloro-2-cyanophenyl)boronicacid;SCHEMBL14120552;DTXSID50674578;JXIINQQPEHZQAY-UHFFFAOYSA-N;AMY33069;MFCD10696673;AKOS006305065;AB57893;DS-17415;5-CHLORO-2-CYANOBENZENEBORONIC ACID;CS-0044871;R10035;EN300-7377584;A901866

Chemical Property of 5-Chloro-2-cyanophenylboronic acid

Chemical Property:

• PKA: 7.00±0.58(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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

5-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