(2,4-Diethoxyphenyl)boronic acid

Base Information

• Chemical Name: (2,4-Diethoxyphenyl)boronic acid
• CAS No.: 1072952-01-2
• Molecular Formula: C7H6BNO2
• Molecular Weight: 210.038
• Hs Code.: 2931900090
• European Community (EC) Number: 694-033-3
• DSSTox Substance ID: DTXSID90584905
• Nikkaji Number: J3.470.108C
• Wikidata: Q82476655
• Mol file: 1072952-01-2.mol

Synonyms:(2,4-Diethoxyphenyl)boronic acid;1072952-01-2;2,4-Diethoxyphenylboronic acid;MFCD09265143;SCHEMBL3793494;(2,4-Diethoxyphenyl)boronicacid;DTXSID90584905;AMY29798;AKOS015838862;BS-49654;SY317080;CS-0176047;D97403

Chemical Property of (2,4-Diethoxyphenyl)boronic acid

Chemical Property:

• Melting Point: 298 °C (dec.)(lit.)
• Boiling Point: 380.5±52.0 °C(Predicted)
• PKA: 9.02±0.58(Predicted)
• PSA: 58.92000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 0.16380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.1063391
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

98.5% ^*data from raw suppliers

2,4-Diethoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)OCC)OCC)(O)O
• Uses: 2,4-Diethoxyphenylboronic Acid is a reagent used in mechanistic studies involving proto and deuterodeboronation of aryl and heteroarylboronic acid using gold catalyst.