copper(2+) ion hydroxycopperylium phosphate

• ChemBase ID: 145430
• Molecular Formular: Cu2HO5P
• Molecular Mass: 239.070701
• Monoisotopic Mass: 237.81535476
• SMILES: O[Cu+].[O-]P(=O)([O-])[O-].[Cu+2]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[Cu+]O.[Cu+2]
• InChI: InChI=1S/2Cu.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q2*+2;;/p-4
• InChIKey: WCMHCPWEQCWRSR-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion hydroxycopperylium phosphate
• IUPAC Traditional name: copper(2+) ion hydroxycopperylium phosphate
• Synonyms: Copper(II) hydroxide phosphate; 碱式磷酸铜(II)

Database IDs

• CAS Number: 12158-74-6
• EC Number: 235-285-2
• MDL Number: MFCD00075296
• PubChem SID: 24861249; 162239636
• PubChem CID: 71311160

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

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

• Purity: 97%
• Linear Formula: Cu2(OH)PO4

DETAILS

Sigma Aldrich - 344400

Packaging
100 g in glass bottle