3-Bromo-2,4,6-trimethylphenylboronic acid

Base Information

• Chemical Name: 3-Bromo-2,4,6-trimethylphenylboronic acid
• CAS No.: 849062-19-7
• Molecular Formula: C9H12BBrO2
• Molecular Weight: 242.91
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80584398
• Wikidata: Q82476053
• Mol file: 849062-19-7.mol

Synonyms:3-Bromo-2,4,6-trimethylphenylboronic acid;849062-19-7;(3-Bromo-2,4,6-trimethylphenyl)boronic acid;C9H12BBrO2;DTXSID80584398;MFCD06798059;AKOS015833876;AB29784;BP-11428;BS-23053;(3-Bromo-2,4,6-trimethylphenyl)boronicacid;CS-0188923;E90029;3-Bromo-2,4,6-trimethylphenylboronic acid, 95%;A863890

Chemical Property of 3-Bromo-2,4,6-trimethylphenylboronic acid

Chemical Property:

• Melting Point: 159-164 °C(lit.)
• Boiling Point: 366.2±52.0 °C(Predicted)
• PKA: 7.97±0.58(Predicted)
• PSA: 40.46000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 1.05410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.01137
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-2,4,6-trimethylphenylboronicacid ^*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=C1C)C)Br)C)(O)O