3-Bromo-2-ethoxy-5-methylphenylboronic acid

Base Information

• Chemical Name: 3-Bromo-2-ethoxy-5-methylphenylboronic acid
• CAS No.: 870718-00-6
• Molecular Formula: C9H12BBrO3
• Molecular Weight: 258.906
• Hs Code.: 2931900090
• European Community (EC) Number: 685-719-3
• DSSTox Substance ID: DTXSID90584420
• Wikidata: Q82476079
• Mol file: 870718-00-6.mol

Synonyms:3-Bromo-2-ethoxy-5-methylphenylboronic acid;870718-00-6;(3-Bromo-2-ethoxy-5-methylphenyl)boronic acid;3-BROMO-2-ETHOXYL-5-METHYLPHENYLBORONIC ACID;SCHEMBL3318902;DTXSID90584420;MFCD05664336;AKOS015834041;AB22362;BP-11407;BS-23057;CS-0176042;(3-Bromo-2-ethoxy-5-methylphenyl)boronicacid;D71325;A862907

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

Chemical Property:

• Vapor Pressure: 3.88E-07mmHg at 25°C
• Melting Point: 98-102 °C(lit.)
• Boiling Point: 400.6°C at 760 mmHg
• Flash Point: 196.1°C
• PSA: 49.69000
• Density: 1.47g/cm³
• LogP: 0.83600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 258.00629
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-2-ethoxy-5-methylphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1OCC)Br)C)(O)O