3-Benzyloxycarbonyl-5-nitrophenylboronic acid

Base Information

• Chemical Name: 3-Benzyloxycarbonyl-5-nitrophenylboronic acid
• CAS No.: 380430-62-6
• Molecular Formula: C14H12BNO6
• Molecular Weight: 301.06
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID30378305
• Nikkaji Number: J1.949.124B
• Wikidata: Q82167857
• Mol file: 380430-62-6.mol

Synonyms:380430-62-6;3-Benzyloxycarbonyl-5-nitrophenylboronic acid;(3-((Benzyloxy)carbonyl)-5-nitrophenyl)boronic acid;(3-Benzyloxycarbonyl-5-nitrophenyl)boronic acid;(3-nitro-5-phenylmethoxycarbonylphenyl)boronic acid;(3-Benzyloxycarbonyl-5-nitro-phenyl)boronic acid;MFCD03411934;{3-[(benzyloxy)carbonyl]-5-nitrophenyl}boronic acid;SCHEMBL4626752;DTXSID30378305;AKOS015839320;AB14284;BS-25067;CS-0175266;FT-0644547;3-(benzyloxycarbonyl)-5-nitrophenylboronic acid;D71310;A823985;(3-((Benzyloxy)carbonyl)-5-nitrophenyl)boronicacid;3-Nitro-5-(dihydroxyboryl)benzoic acid benzyl ester

Chemical Property of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid

Chemical Property:

• Vapor Pressure: 2.28E-12mmHg at 25°C
• Melting Point: 140-148℃
• Refractive Index: 1.618
• Boiling Point: 537.1 °C at 760 mmHg
• PKA: 6.11±0.10(Predicted)
• Flash Point: 278.6 °C
• PSA: 112.58000
• Density: 1.4 g/cm³
• LogP: 1.15480
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 301.0757673
• Heavy Atom Count: 22
• Complexity: 393

Purity/Quality:

98.5% ^*data from raw suppliers

3-Benzyloxycarbonyl-5-nitrophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)(O)O