3-Cyanomethylphenylboronic acid

Base Information

• Chemical Name: 3-Cyanomethylphenylboronic acid
• CAS No.: 220616-39-7
• Molecular Formula: C8H8BNO2
• Molecular Weight: 160.97
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00378392
• Wikidata: Q82167908
• ChEMBL ID: CHEMBL4087433
• Mol file: 220616-39-7.mol

Synonyms:220616-39-7;3-Cyanomethylphenylboronic acid;(3-(Cyanomethyl)phenyl)boronic acid;3-(cyanomethyl)phenylboronic acid;[3-(cyanomethyl)phenyl]boronic Acid;Boronic acid, [3-(cyanomethyl)phenyl]-;3-(Cyanomethyl)benzeneboronic acid;CHEMBL4087433;(3-Cyanomethylphenyl)boronic acid;SCHEMBL473915;DTXSID00378392;JFMYJQMAPRBDFF-UHFFFAOYSA-N;(3-(Cyanomethyl)phenyl)boronicacid;(3-cyanomethyl-phenyl)-boronic acid;BDBM50266940;MFCD03788026;AKOS006228828;AB15906;PS-9429;16A-HYDROXY-PREDNISONLONEACETATE;CS-0174449;FT-0644036;(3-cyanomethylphenyl)boronic acid, AldrichCPR;EN300-172304;N11794;A815889

Chemical Property of 3-Cyanomethylphenylboronic acid

Chemical Property:

• Vapor Pressure: 7E-07mmHg at 25°C
• Melting Point: 85-88 °C
• Refractive Index: 1.548
• Boiling Point: 393 °C at 760 mmHg
• Flash Point: 191.5 °C
• PSA: 64.25000
• Density: 1.2 g/cm³
• LogP: -0.56752
• 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: 2
• Exact Mass: 161.0648087
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

3-CyanomethylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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