(E)-(3-(2-Cyanovinyl)phenyl)boronic acid

Base Information

• Chemical Name: (E)-(3-(2-Cyanovinyl)phenyl)boronic acid
• CAS No.: 850568-53-5
• Molecular Formula: C9H8BNO2
• Molecular Weight: 172.98
• Hs Code.: 2931900090
• European Community (EC) Number: 689-348-8
• DSSTox Substance ID: DTXSID801250585
• Wikidata: Q76324089
• ChEMBL ID: CHEMBL4105287
• Mol file: 850568-53-5.mol

Synonyms:850568-53-5;(E)-(3-(2-Cyanovinyl)phenyl)boronic acid;3-(E-2-Cyanovinyl)phenylboronic acid;3-(3-Boronophenyl)acrylonitrile;[3-[(E)-2-cyanoethenyl]phenyl]boronic acid;CHEMBL4105287;SCHEMBL2555208;DTXSID801250585;BDBM50266941;MFCD04973741;AKOS006346235;(E)-3-(2-cyanovinyl)phenylboronic acid;BS-24293;(E)-(3-(2-Cyanovinyl)phenyl)boronicacid;3,5-DISULFOBENZOICACID,DISODIUMSALT;CS-0174241;3-(E)-2-CYANOVINYLBENZENEBORONIC ACID;B-[3-[(1E)-2-Cyanoethenyl]phenyl]boronic acid;A863742;{3-[(1E)-2-cyanoeth-1-en-1-yl]phenyl}boronic acid

Chemical Property of (E)-(3-(2-Cyanovinyl)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 6.35E-08mmHg at 25°C
• Melting Point: 216-320 °C
• Refractive Index: 1.57
• Boiling Point: 423.4 °C at 760 mmHg
• Flash Point: 209.9 °C
• PSA: 64.25000
• Density: 1.2 g/cm³
• LogP: -0.09682
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.0648087
• Heavy Atom Count: 13
• Complexity: 231

Purity/Quality:

98%min ^*data from raw suppliers

3-(E-2-Cyanovinyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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