calcium diphosphinate

• ChemBase ID: 158776
• Molecular Formular: CaH4O4P2
• Molecular Mass: 170.054882
• Monoisotopic Mass: 169.92107285
• 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 phosphinate; Calcium hypophosphite; 次亚磷酸钙; 次磷酸钙

Database IDs

• CAS Number: 7789-79-9
• EC Number: 232-190-8
• PubChem SID: 162252912; 24845734
• PubChem CID: 24618

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

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 3178
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3178 4.1/PG 2

Product Information

• Purity: 98-100.5%
• Grade: puriss.
• Suitability: complies for appearance of solution
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.1 mmol/g free acid; acidity or alcalinity, in accordance; residual solvents, complies
• Cation Traces: As: ≤2 mg/kg; Ba:, in accordance; Fe: ≤20 mg/kg
• Antion Traces: chloride (Cl-): ≤200 mg/kg; phosphate, phosphite (as PO43-): in accordance; sulfate (SO42-): ≤200 mg/kg
• Loss on Drying: ≤0.5% loss on drying, 105 °C, 1 h
• Quality: meets analytical specification of DAC
• Linear Formula: Ca(H2PO2)2