dicopper(2+) ion (phosphonatooxy)phosphonate

• ChemBase ID: 111699
• Molecular Formular: Cu2O7P2
• Molecular Mass: 301.035322
• Monoisotopic Mass: 299.7711206
• SMILES: [Cu+2].[Cu+2].[O-]P(=O)([O-])OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(OP(=O)([O-])[O-])[O-].[Cu+2].[Cu+2]
• InChI: InChI=1S/2Cu.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
• InChIKey: PEVJCYPAFCUXEZ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dicopper(2+) ion (phosphonatooxy)phosphonate
• IUPAC Traditional name: dicopper(2+) diphosphate; dicopper(2+) ion diphosphate
• Synonyms: CUPRIC PYROPHOSPHATE DIHYDRATE; Copper(II) pyrophosphate hydrate; 水合焦磷酸铜(II)

Database IDs

• CAS Number: 10102-90-6; 304671-71-4
• EC Number: 239-250-2
• MDL Number: MFCD00150225
• PubChem SID: 162097095
• PubChem CID: 9817825

CALCULATED PROPERTIES

• Acid pKa: 1.7026764
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -5.934867
• LogD (pH = 7.4): -6.883358
• Log P: -1.4419023
• Molar Refractivity: 21.038 cm^3
• Polarizability: 10.301113 Å^3
• Polar Surface Area: 135.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• 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

Product Information

• Purity: P2O7 43.5-48.5%

DETAILS

MP Biomedicals - 05220446

MP Biomedicals Rare Chemical collection