3-Bromo-2-butoxy-5-methylphenylboronic acid

Base Information

• Chemical Name: 3-Bromo-2-butoxy-5-methylphenylboronic acid
• CAS No.: 870718-03-9
• Molecular Formula: C11H16BBrO3
• Molecular Weight: 286.959
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50402095
• Wikidata: Q82205461
• Mol file: 870718-03-9.mol

Synonyms:3-Bromo-2-butoxy-5-methylphenylboronic acid;870718-03-9;(3-bromo-2-butoxy-5-methylphenyl)boronic acid;C11H16BBrO3;3-BROMO-2-BUTOXY-5-METHYLPHENYLBORONIC &;SCHEMBL3315111;DTXSID50402095;VJB71803;MFCD04974113;AKOS015834052;AB21486;BP-12151;BS-23055;CS-0175925;(3-bromo-2-butoxy-5-methylphenyl)boronicacid;E89798;A862904

Chemical Property of 3-Bromo-2-butoxy-5-methylphenylboronic acid

Chemical Property:

• Vapor Pressure: 8.31E-08mmHg at 25°C
• Melting Point: 63-68 °C(lit.)
• Boiling Point: 420.1°C at 760 mmHg
• PKA: 7.71±0.53(Predicted)
• Flash Point: 207.8°C
• PSA: 49.69000
• Density: 1.38g/cm³
• LogP: 1.61620
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 286.03759
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-2-butoxy-5-methylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1OCCCC)Br)C)(O)O