calcium diphosphinate

• ChemBase ID: 303843
• Molecular Formular: CaO4P2
• Molecular Mass: 166.023122
• Monoisotopic Mass: 165.88977272
• SMILES: [O-][P]=O.[O-][P]=O.[Ca+2]
• Canonical SMILES: [O-][P]=O.[O-][P]=O.[Ca+2]
• InChI: InChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2
• InChIKey: LITFOGPYONJRNO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium diphosphinate
• IUPAC Traditional name: calcium dihypophosphite
• Synonyms: Calcium hypophosphite; 次磷酸钙盐

Database IDs

• CAS Number: 7789-79-9
• EC Number: 232-190-8
• MDL Number: MFCD00867083
• Merck Index: 141675

CALCULATED PROPERTIES

• Acid pKa: 2.5488303
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.4227495
• LogD (pH = 7.4): -3.5022845
• Log P: -1.2396
• Molar Refractivity: 9.6858 cm^3
• Polarizability: 4.560722 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. Practically insoluble in alcohol. Slightly soluble in glycerol
• Apperance: Powder
• Melting Point: dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Flammable (F)
• UN Number: UN3178
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H228
• GHS Precautionary statements: P210-P241-P280-P240-P370+P378A