dichloro(oxo)hafnium hydrate

• ChemBase ID: 145869
• Molecular Formular: Cl2H2HfO2
• Molecular Mass: 283.41068
• Monoisotopic Mass: 283.88973466
• SMILES: O.O=[Hf](Cl)Cl
• Canonical SMILES: Cl[Hf](=O)Cl.O
• InChI: InChI=1S/2ClH.Hf.H2O.O/h2*1H;;1H2;/q;;+2;;/p-2
• InChIKey: ONMNZQKEFYFCCQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(oxo)hafnium hydrate
• IUPAC Traditional name: dichloro(oxo)hafnium hydrate
• Synonyms: Hafnium(IV) oxychloride hydrate; 氧氯化铪 水合物

Database IDs

• CAS Number: 15461-28-6
• EC Number: 237-345-3
• MDL Number: MFCD00150415
• PubChem SID: 24853294

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9176
• LogD (pH = 7.4): 0.9176
• Log P: 0.9176
• Molar Refractivity: 13.7155 cm^3
• Polarizability: 12.619605 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline

Safety Information

• RTECS: MG4800000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312 + H332-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: 99.99% trace metals basis (purity excludes zirconium)
• Linear Formula: HfOCl2 · xH2O

DETAILS

Sigma Aldrich - 229652

General description
Degree of hydration 6-8
Packaging
1 g in glass bottle
5 g in poly bottle
Application
Starting material for HfGeO4 and HfGeO4:Ti, both used in x-ray phosphors.1