Neopentylboronic acid

Base Information

• Chemical Name: Neopentylboronic acid
• CAS No.: 701261-35-0
• Molecular Formula: C5H13BO2
• Molecular Weight: 115.96700
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90584920
• Nikkaji Number: J3.017.944G
• Wikidata: Q82476676
• Mol file: 701261-35-0.mol

Synonyms:Neopentylboronic acid;701261-35-0;2,2-Dimethylpropylboronic acid;(2,2-Dimethylpropyl)boronic acid;MFCD09750464;Boronic acid, (2,2-dimethylpropyl)-;C5H13BO2;Neopentylboronicacid;AMY054;Neopentylboronic acid, >=95%;SCHEMBL1453209;DTXSID90584920;ZB0609;AKOS025405134;AB51406;AS-55556;SY066938;CS-0063198;EN300-261418;A866673

Chemical Property of Neopentylboronic acid

Chemical Property:

• Vapor Pressure: 0.136mmHg at 25°C
• Melting Point: 85-89oC
• Boiling Point: 191.7oC at 760 mmHg
• PKA: 10.71±0.43(Predicted)
• Flash Point: 69.7oC
• PSA: 40.46000
• Density: 0.905g/cm3
• LogP: 0.50530
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 116.1008598
• Heavy Atom Count: 8
• Complexity: 65.3

Purity/Quality:

98% ^*data from raw suppliers

Neopentylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(CC(C)(C)C)(O)O
• Uses: Reactant for:Preparation of alkylarenes via tetraphosphine-palladium-catalyzed Suzuki cross-coupling with aryl halides