disodium phenyl phosphate

• ChemBase ID: 103454
• Molecular Formular: C6H5Na2O4P
• Molecular Mass: 218.054801
• Monoisotopic Mass: 217.97208383
• SMILES: [Na+].[Na+].[O-]P(=O)([O-])Oc1ccccc1
• Canonical SMILES: [O-]P(=O)(Oc1ccccc1)[O-].[Na+].[Na+]
• InChI: InChI=1S/C6H7O4P.2Na/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2
• InChIKey: TYJOJLOWRIQYQM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium phenyl phosphate
• IUPAC Traditional name: disodium phenyl phosphate; dipotassium phenyl phosphate
• Synonyms: Phenyl phosphate disodium salt hydrate; Sodium phenyl phosphate dibasic; Disodium phenyl phosphate; PHENYL PHOSPHATE; 磷酸苯基二钠盐水合物

Database IDs

• CAS Number: 3279-54-7
• EC Number: 221-917-4
• MDL Number: MFCD00002133
• Beilstein Number: 4167154
• Merck Index: 143357
• PubChem SID: 162091367
• PubChem CID: 76771

CALCULATED PROPERTIES

• Acid pKa: 1.7889353
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3649237
• LogD (pH = 7.4): -2.0936472
• Log P: 1.0158154
• Molar Refractivity: 36.6684 cm^3
• Polarizability: 15.079398 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: 是

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02151843

Disodium Salt
Crystalline
Suitable for King-Armstrong phosphatase procedure. Less than 0.1% phenol present by weight.