4-Acetyl-2-nitrophenylboronic acid

Base Information

• Chemical Name: 4-Acetyl-2-nitrophenylboronic acid
• CAS No.: 1126895-86-0
• Molecular Formula: C8H8BNO5
• Molecular Weight: 208.96382
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID70681668
• Wikidata: Q82605792
• Mol file: 1126895-86-0.mol

Synonyms:4-ACETYL-2-NITROPHENYLBORONIC ACID;1126895-86-0;(4-Acetyl-2-nitrophenyl)boronic acid;SCHEMBL13977122;DTXSID70681668;BVB89586;(4-Acetyl-2-nitrophenyl)boronicacid;MFCD16618934;AKOS015837760;BS-26015;CS-0178363

Chemical Property of 4-Acetyl-2-nitrophenylboronic acid

Chemical Property:

• Boiling Point: 399.0±52.0 °C(Predicted)
• PKA: 6.88±0.53(Predicted)
• PSA: 103.35000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 0.00040
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 209.0495525
• Heavy Atom Count: 15
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

4-Acetyl-2-nitrophenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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