3-(3'-Chlorobenzyloxy)phenylboronic acid

Base Information

• Chemical Name: 3-(3'-Chlorobenzyloxy)phenylboronic acid
• CAS No.: 849062-33-5
• Molecular Formula: C₁₃H₁₂BClO₃
• Molecular Weight: 262.5
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50584486
• Wikidata: Q82476153
• Mol file: 849062-33-5.mol

Synonyms:849062-33-5;3-(3'-Chlorobenzyloxy)phenylboronic acid;(3-((3-Chlorobenzyl)oxy)phenyl)boronic acid;[3-[(3-chlorophenyl)methoxy]phenyl]boronic acid;{3-[(3-Chlorophenyl)methoxy]phenyl}boronic acid;SCHEMBL21408;DTXSID50584486;ZIB06233;MFCD06411352;AKOS009320172;AB25246;BP-12142;BS-17719;(3-((3-Chlorobenzyl)oxy)phenyl)boronicacid;3-(3(2)-Chlorobenzyloxy)phenylboronic acid;CS-0156916;D82713;A863877

Chemical Property of 3-(3'-Chlorobenzyloxy)phenylboronic acid

Chemical Property:

• Vapor Pressure: 4.81E-09mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 454.3°C at 760 mmHg
• PKA: 8.03±0.10(Predicted)
• Flash Point: 228.6°C
• PSA: 49.69000
• Density: 1.3g/cm³
• LogP: 1.59880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.0568021
• Heavy Atom Count: 18
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

3-(3′-Chlorobenzyloxy)phenylboronic 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=C1)OCC2=CC(=CC=C2)Cl)(O)O
• Uses: 3-(3''-Chlorobenzyloxy)phenylboronic acid