2-Chloro-5-cyanophenylboronic acid

Base Information

• Chemical Name: 2-Chloro-5-cyanophenylboronic acid
• CAS No.: 936249-33-1
• Molecular Formula: C7H5BClNO2
• Molecular Weight: 181.386
• Hs Code.: 2931900090
• European Community (EC) Number: 672-932-1
• DSSTox Substance ID: DTXSID70376865
• Wikidata: Q72517980
• Mol file: 936249-33-1.mol

Synonyms:2-Chloro-5-cyanophenylboronic acid;936249-33-1;(2-chloro-5-cyanophenyl)boronic acid;2-chloro-5-cyanobenzeneboronic acid;MFCD06656271;[2-Chloro-5-cyanophenyl]boronic acid;(2-chloro-5-cyano-phenyl)boronic Acid;2-Chloro-5-cyanophenylboronicacid;SCHEMBL1347592;DTXSID70376865;YNZXUVCJPQNYHR-UHFFFAOYSA-N;AMY13289;2-chloro-5-cyanophenyl boronic acid;BBL104129;STL557944;[6-Chloro-3-cyanophenyl]boronic acid;AKOS006344215;AB25502;PS-9594;B-(2-Chloro-5-cyanophenyl)boronic acid;(2-chloranyl-5-cyano-phenyl)boronic acid;BP-10298;SY025519;CS-0112884;FT-0652881;2-Chloro-5-cyanophenylboronic acid, AldrichCPR;F10486;EN300-6482378;A844652;J-508814

Chemical Property of 2-Chloro-5-cyanophenylboronic acid

Chemical Property:

• Vapor Pressure: 3.75E-06mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 370.8 °C at 760 mmHg
• PKA: 6.87±0.58(Predicted)
• Flash Point: 178 °C
• PSA: 64.25000
• Density: 1.414 g/cm³
• LogP: -0.10852
• Storage Temp.: Keep Cold
• 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%,99%, ^*data from raw suppliers

2-Chloro-5-cyanophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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