tetrafluorozirconium hydrate

• ChemBase ID: 149822
• Molecular Formular: F4H2OZr
• Molecular Mass: 185.2328928
• Monoisotopic Mass: 183.90888156
• SMILES: O.F[Zr](F)(F)F
• Canonical SMILES: F[Zr](F)(F)F.O
• InChI: InChI=1S/4FH.H2O.Zr/h4*1H;1H2;/q;;;;;+4/p-4
• InChIKey: GORLMDNEWNWWBP-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluorozirconium hydrate
• IUPAC Traditional name: zirconium(IV) fluoride hydrate
• Synonyms: Zirconium(IV) fluoride hydrate; 氟化锆(IV) 水合物

Database IDs

• CAS Number: 15298-38-1
• EC Number: 232-018-1
• MDL Number: MFCD00149895
• PubChem SID: 24860207; 162243984
• PubChem CID: 15387074

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.37
• LogD (pH = 7.4): 1.37
• Log P: 1.37
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 6.24723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

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: 26-27-28-36/37/39-45
• 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: 97%
• Compostion: Degree of hydration, 2-3
• Linear Formula: ZrF4·xH2O

DETAILS

Sigma Aldrich - 333964

Packaging
50 g in poly bottle