chromium(3+) ion hydrate phosphate

• ChemBase ID: 138024
• Molecular Formular: CrH2O5P
• Molecular Mass: 164.982741
• Monoisotopic Mass: 164.90449229
• SMILES: O.[O-]P(=O)([O-])[O-].[Cr+3]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O.[Cr+3]
• InChI: InChI=1S/Cr.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+3;;/p-3
• InChIKey: LDBQTXXLOCGMKP-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion hydrate phosphate
• IUPAC Traditional name: chromium(3+) ion hydrate phosphate
• Synonyms: Chromium(III) phosphate hydrate; 磷酸铬(III) 水合物

Database IDs

• CAS Number: 84359-31-9
• EC Number: 232-141-0
• MDL Number: MFCD00150221
• PubChem SID: 24872958; 162232283
• PubChem CID: 16213643

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
• Melting Point: 120-140 °C (dec.)(lit.)
• Density: 2.12 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 3260 8/PG 2

Product Information

• Purity: ≥99.9% trace metals basis
• Linear Formula: CrPO4 · xH2O