4-Cyano-2-nitrophenylboronic acid

Base Information

• Chemical Name: 4-Cyano-2-nitrophenylboronic acid
• CAS No.: 850568-46-6
• Molecular Formula: C7H5BN2O4
• Molecular Weight: 191.94
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40397643
• Wikidata: Q82199155
• Mol file: 850568-46-6.mol

Synonyms:4-Cyano-2-nitrophenylboronic acid;850568-46-6;(4-cyano-2-nitrophenyl)boronic acid;(4-CYANO-2-NITROPHENYL)BORONICACID;(4-cyano-2-nitro-phenyl)boronic Acid;DTXSID40397643;MFCD04115646;AKOS006227830;AB20322;BS-24220;FT-0644939;D71328;EN300-7390245;A841119

Chemical Property of 4-Cyano-2-nitrophenylboronic acid

Chemical Property:

• Vapor Pressure: 7.4E-08mmHg at 25°C
• Melting Point: 110-116 °C
• Refractive Index: 1.595
• Boiling Point: 421.5 °C at 760 mmHg
• Flash Point: 208.7 °C
• PSA: 110.07000
• Density: 1.48 g/cm³
• LogP: -0.33052
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.0342368
• Heavy Atom Count: 14
• Complexity: 269

Purity/Quality:

98%min ^*data from raw suppliers

(4-Cyano-2-nitrophenyl)boronicAcid ^*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=C(C=C(C=C1)C#N)[N+](=O)[O-])(O)O