sodium phenylmethanolate

• ChemBase ID: 148000
• Molecular Formular: C7H7NaO
• Molecular Mass: 130.11965
• Monoisotopic Mass: 130.03945913
• SMILES: c1ccc(cc1)C[O-].[Na+]
• Canonical SMILES: [O-]Cc1ccccc1.[Na+]
• InChI: InChI=1S/C7H7O.Na/c8-6-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1
• InChIKey: LFQULJPVXNYWAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium phenylmethanolate
• IUPAC Traditional name: sodium phenylmethanolate
• Synonyms: Sodium benzyloxide solution; 苯甲基氧化钠 溶液

Database IDs

• CAS Number: 20194-18-7
• MDL Number: MFCD00192444
• PubChem SID: 24863637; 162242180
• PubChem CID: 23676753

CALCULATED PROPERTIES

• Acid pKa: 15.019332
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.205896
• LogD (pH = 7.4): 1.205896
• Log P: 1.205896
• Molar Refractivity: 43.4242 cm^3
• Polarizability: 12.504862 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 203-205 °C
• Flash Point: 194 °F; 90 °C
• Density: 1.077 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H332
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2

Product Information

• Concentration: 1.0 M in benzyl alcohol
• Linear Formula: C6H5CH2ONa

DETAILS

Sigma Aldrich - 379484

Packaging
25, 100 mL in Sure/Seal™