sodium phenylmethanide

• ChemBase ID: 108439
• Molecular Formular: C7H7Na
• Molecular Mass: 114.12025
• Monoisotopic Mass: 114.04454451
• SMILES: [Na+].[CH2-]c1ccccc1
• Canonical SMILES: [CH2-]c1ccccc1.[Na+]
• InChI: InChI=1S/C7H7.Na/c1-7-5-3-2-4-6-7;/h2-6H,1H2;/q-1;+1
• InChIKey: OWMHBKYAOYHOQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium phenylmethanide
• IUPAC Traditional name: potassium phenylmethanide
• Synonyms: BENZYL SODIUM 25% SOLUTION IN HEPTANE

Database IDs

• CAS Number: 1121-53-5
• EC Number: 214-332-0
• PubChem SID: 162095483
• PubChem CID: 11789171

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.9883377
• LogD (pH = 7.4): -0.9883377
• Log P: 2.4866672
• Molar Refractivity: 31.069 cm^3
• Polarizability: 12.316891 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:11
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05207359

MP Biomedicals Rare Chemical collection