sodium 2-phenylbenzen-1-olate

• ChemBase ID: 70585
• Molecular Formular: C12H9NaO
• Molecular Mass: 192.18903
• Monoisotopic Mass: 192.05510919
• SMILES: [Na+].c1(c(cccc1)[O-])c1ccccc1
• Canonical SMILES: [O-]c1ccccc1c1ccccc1.[Na+]
• InChI: InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1
• InChIKey: KSQXVLVXUFHGJQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-phenylbenzen-1-olate
• IUPAC Traditional name: sodium o-phenylphenate; potassium o-phenylphenate
• Synonyms: Sodium [1,1'-biphenyl]-2-olate; (1,1'-Biphenyl)-2-ol, sodium salt; 2-Hydroxydiphenyl sodium; o-Phenylphenol sodium; o-Phenylphenol, sodium; Sodium o-phenylphenol; Sodium 2-phenylphenolate; Sodium o-phenylphenate; Sodium orthophenyl phenol; o-PHENYLPHENOL SODIUM SALT TETRAHYDRATE

Database IDs

• CAS Number: 132-27-4
• EC Number: 205-055-6
• MDL Number: MFCD00002209
• PubChem SID: 162036300
• PubChem CID: 23675735
• CHEMBL: 1903906
• Chemspider ID: 10764729
• Wikipedia Title: Sodium_orthophenyl_phenol

CALCULATED PROPERTIES

• Acid pKa: 9.694701
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3168783
• LogD (pH = 7.4): 3.3147213
• Log P: 3.316906
• Molar Refractivity: 63.7254 cm^3
• Polarizability: 21.7432 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.3 g/ml

Safety Information

• Storage Warning: IRRITANT
• RTECS: DV7700000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22-38-41
• Safety Statements: S:22-26
• TSCA Listed: false

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05225557

MP Biomedicals Rare Chemical collection