3-Bromo-2-(3'-fluorobenzyloxy)-5-methylphenylboronic acid

Base Information

• Chemical Name: 3-Bromo-2-(3'-fluorobenzyloxy)-5-methylphenylboronic acid
• CAS No.: 849062-40-4
• Molecular Formula: C14H13 B Br F O3
• Molecular Weight: 338.96
• Hs Code.: 2931900090
• European Community (EC) Number: 622-079-6
• DSSTox Substance ID: DTXSID80584494
• Wikidata: Q82476162
• Mol file: 849062-40-4.mol

Synonyms:849062-40-4;3-Bromo-2-(3'-fluorobenzyloxy)-5-methylphenylboronic acid;(3-BROMO-2-((3-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONIC ACID;[3-bromo-2-[(3-fluorophenyl)methoxy]-5-methylphenyl]boronic acid;{3-Bromo-2-[(3-fluorophenyl)methoxy]-5-methylphenyl}boronic acid;3-BROMO-2-(3'-FLUOROBENZYLOXY)-5-METHYL&;SCHEMBL9893782;DTXSID80584494;MFCD06411359;AKOS015888503;AB25265;BS-23049;CS-0178093;F76105;A863873;(3-BROMO-2-((3-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONICACID

Chemical Property of 3-Bromo-2-(3'-fluorobenzyloxy)-5-methylphenylboronic acid

Chemical Property:

• Vapor Pressure: 2.57E-10mmHg at 25°C
• Melting Point: 122-127 °C(lit.)
• Refractive Index: 1.605
• Boiling Point: 487.5°C at 760 mmHg
• PKA: 7.65±0.53(Predicted)
• Flash Point: 248.6°C
• PSA: 49.69000
• Density: 1.51g/cm³
• LogP: 2.15540
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 338.01252
• Heavy Atom Count: 20
• Complexity: 308

Purity/Quality:

99%min ^*data from raw suppliers

3-Bromo-2-(3′-fluorobenzyloxy)-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)F)Br)C)(O)O