sodium phosphinate

• ChemBase ID: 129531
• Molecular Formular: H2NaO2P
• Molecular Mass: 87.978211
• Monoisotopic Mass: 87.96901022
• SMILES: [Na+].[O-]P=O
• Canonical SMILES: [O-]P=O.[Na+]
• InChI: InChI=1S/Na.HO2P/c;1-3-2/h;(H,1,2)/q+1;/p-1
• InChIKey: ZGKNDXOLMOFEJH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium phosphinate
• IUPAC Traditional name: sodium hypophosphite
• Synonyms: Sodium hypophosphite; Sodium hypophosphite; Sodium phosphinite monohydrate; Sodium hypophosphite monohydrate; 次亚磷酸钠; 次磷酸钠一水合物

Database IDs

• CAS Number: 7681-53-0; 10039-56-2
• EC Number: 231-669-9
• MDL Number: MFCD09265474; MFCD00149207
• Merck Index: 148629
• PubChem SID: 24845739; 162223823
• PubChem CID: 16129646; 23675242
• Chemspider ID: 22758
• Wikipedia Title: Sodium_hypophosphite

CALCULATED PROPERTIES

• Acid pKa: -4.0671873
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.8514
• LogD (pH = 7.4): -2.8514
• Log P: -0.5876
• Molar Refractivity: 8.0858 cm^3
• Polarizability: 3.9117465 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in water
• Apperance: white solid
• Melting Point: 90 °C (monohydrate)
• Flash Point: Non-flammable
• Density: 0.8 g/cm^3 (monohydrate)

Safety Information

• RTECS: SZ5640000; SZ5640000 (monohydrate); WB5950000
• German water hazard class: 2
• TSCA Listed: 是
• EU Index: Not listed
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97+%, water ca 12-17%; 98-101%
• Grade: puriss.
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.2% free alkali (as CaO)
• Cation Traces: As: ≤2 mg/kg; Fe: ≤10 mg/kg
• Antion Traces: chloride (Cl-): ≤200 mg/kg; sulfate (SO42-): ≤200 mg/kg
• Loss on Drying: ≤1% loss on drying, 105 °C, 2 h
• Quality: meets analytical specification of BPC63
• Linear Formula: NaPH2O2