(3-Bromo-2-((3-bromobenzyl)oxy)-5-methylphenyl)boronic acid

Base Information

• Chemical Name: (3-Bromo-2-((3-bromobenzyl)oxy)-5-methylphenyl)boronic acid
• CAS No.: 849052-16-0
• Molecular Formula: C14H13 B Br2 O3
• Molecular Weight: 399.87
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20584498
• Mol file: 849052-16-0.mol

Synonyms:849052-16-0;(3-Bromo-2-((3-bromobenzyl)oxy)-5-methylphenyl)boronic acid;3-Bromo-2-(3'-bromobenzyloxy)-5-methylphenylboronic acid;[3-bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl]boronic acid;{3-Bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl}boronic acid;C14H13BBr2O3;3-BROMO-2-(3'-BROMOBENZYLOXY)-5-METHYLP&;SCHEMBL9893695;DTXSID20584498;(3-Bromo-2-((3-bromobenzyl)oxy)-5-methylphenyl)boronicacid;ZIB05216;MFCD06411363;AKOS015888501;AB25274;BS-22496;CS-0175790;A863918;3-Bromo-2-(3''-bromobenzyloxy)-5-methylphenylboronic Acid

Chemical Property of (3-Bromo-2-((3-bromobenzyl)oxy)-5-methylphenyl)boronic acid

Chemical Property:

• Vapor Pressure: 2.12E-12mmHg at 25°C
• Melting Point: 109-113 °C(lit.)
• Refractive Index: 1.65
• Boiling Point: 537.9°C at 760 mmHg
• PKA: 7.66±0.53(Predicted)
• Flash Point: 279.1°C
• PSA: 49.69000
• Density: 1.72g/cm³
• LogP: 2.77880
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 399.93040
• Heavy Atom Count: 20
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-2-(3′-bromobenzyloxy)-5-methylphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1OCC2=CC(=CC=C2)Br)Br)C)(O)O