sodium dimethyl(phenyl)silanolate

• ChemBase ID: 296571
• Molecular Formular: C8H11NaOSi
• Molecular Mass: 174.24761
• Monoisotopic Mass: 174.04768579
• SMILES: C[Si](C)(c1ccccc1)[O-].[Na+]
• Canonical SMILES: [O-][Si](c1ccccc1)(C)C.[Na+]
• InChI: InChI=1S/C8H11OSi.Na/c1-10(2,9)8-6-4-3-5-7-8;/h3-7H,1-2H3;/q-1;+1
• InChIKey: NPZJKOMUCXNLBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium dimethyl(phenyl)silanolate
• IUPAC Traditional name: sodium dimethyl(phenyl)silanolate
• Synonyms: Sodium dimethylphenylsilanolate; Sodium phenyldimethylsilanolate; Dimethylphenylsilanol sodium salt; 二甲基苯基硅醇钠盐

Database IDs

• CAS Number: 7646-75-5
• MDL Number: MFCD09266151
• PubChem SID: 180682102
• PubChem CID: 23713317

CALCULATED PROPERTIES

• Acid pKa: 12.447011
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1631999
• LogD (pH = 7.4): 1.1631961
• Log P: 1.1632
• Molar Refractivity: 38.4774 cm^3
• Polarizability: 17.275509 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%