trimagnesium(2+) ion hydrate diphosphate

• ChemBase ID: 139984
• Molecular Formular: H2Mg3O9P2
• Molecular Mass: 280.873002
• Monoisotopic Mass: 279.87253
• SMILES: 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.[Mg+2].[Mg+2].[Mg+2]
• InChI: InChI=1S/3Mg.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6
• InChIKey: WESIJKDWGUWFEP-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trimagnesium(2+) ion hydrate diphosphate
• IUPAC Traditional name: trimagnesium(2+) ion hydrate diphosphate
• Synonyms: Magnesium phosphate hydrate; 磷酸镁 水合物

Database IDs

• CAS Number: 53408-95-0
• EC Number: 233-142-9
• MDL Number: MFCD00150251
• PubChem SID: 162234229; 24861274; 24901916
• PubChem CID: 6096954

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: powder
• Density: 2.195 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: Mg3(PO4)2·xH2O

DETAILS

Sigma Aldrich - 344702

Packaging
2.5 kg in poly drum
500 g in poly bottle

Sigma Aldrich - W515701

Packaging
1 kg in poly bottle
5 kg in poly drum
1 sample in glass bottle
10 kg in fiber drum