ethylboronic acid

• ChemBase ID: 10778
• Molecular Formular: C2H7BO2
• Molecular Mass: 73.88678
• Monoisotopic Mass: 74.05390986
• SMILES: C(C)B(O)O
• Canonical SMILES: CCB(O)O
• InChI: InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3
• InChIKey: PAVZHTXVORCEHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylboronic acid
• IUPAC Traditional name: boronic acid, ethyl-
• Synonyms: Ethylboronic acid; Ethaneboronic acid; Ethylboronic acid; 乙基硼酸

Database IDs

• CAS Number: 4433-63-0; 237401-34-2
• MDL Number: MFCD01074536
• Beilstein Number: 1731546
• PubChem SID: 160974085
• PubChem CID: 521157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3781062
• LogD (pH = 7.4): 0.36317217
• Log P: 0.3783
• Molar Refractivity: 15.5095 cm^3
• Polarizability: 7.648377 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 8.847966

PROPERTIES

Physical Property

• Melting Point: 84-86°C; 84-88°C; 84-88°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT, KEEP COLD; Irritant/Air Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%; 98%