sodium propan-2-olate

• ChemBase ID: 303905
• Molecular Formular: C3H7NaO
• Molecular Mass: 82.07685
• Monoisotopic Mass: 82.03945913
• SMILES: CC(C)[O-].[Na+]
• Canonical SMILES: [O-]C(C)C.[Na+]
• InChI: InChI=1S/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1
• InChIKey: WBQTXTBONIWRGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium propan-2-olate
• IUPAC Traditional name: sodium propan-2-olate
• Synonyms: Sodium isopropoxide; 异丙醇钠

Database IDs

• CAS Number: 683-60-3
• EC Number: 211-673-7
• MDL Number: MFCD00061566

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 70-75°C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3206
• Hazard Class: 4.2
• Packing Group: II
• Risk Statements: 11-14-34
• Safety Statements: 8-20-26-30-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H251-H228-H314-H318
• GHS Precautionary statements: P210-P280-P305+P351+P338-P310-P370+P378I-P402+P404