trimagnesium(2+) ion octahydrate diphosphate

• ChemBase ID: 158768
• Molecular Formular: H16Mg3O16P2
• Molecular Mass: 406.979962
• Monoisotopic Mass: 405.94648279
• SMILES: O.O.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].O.O.O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2]
• InChI: InChI=1S/3Mg.2H3O4P.8H2O/c;;;2*1-5(2,3)4;;;;;;;;/h;;;2*(H3,1,2,3,4);8*1H2/q3*+2;;;;;;;;;;/p-6
• InChIKey: MOMDCAYSCWFERX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trimagnesium(2+) ion octahydrate diphosphate
• IUPAC Traditional name: trimagnesium(2+) ion octahydrate diphosphate
• Synonyms: Magnesium phosphate, tribasic pentahydrate; Magnesium phosphate pentahydrate; Trimagnesium phosphate octahydrate; Magnesium phosphate tribasic octahydrate; 五水磷酸镁; 磷酸三镁 八水合物; 磷酸镁(2:3) 八水合物

Database IDs

• CAS Number: 10233-87-1; 13446-23-6
• EC Number: 231-824-0
• MDL Number: MFCD00150252
• Merck Index: 145683
• PubChem SID: 24882410; 162252904
• PubChem CID: 6096971

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (KT); P2O5 33%
• Grade: CP; purum p.a.
• Cation Traces: Ca: ≤1000 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤2000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Linear Formula: Mg3(PO4)2 · 8H2O