tetrafluorozirconium

• ChemBase ID: 130256
• Molecular Formular: F4Zr
• Molecular Mass: 167.2176128
• Monoisotopic Mass: 165.89831688
• SMILES: F[Zr](F)(F)F
• Canonical SMILES: F[Zr](F)(F)F
• InChI: InChI=1S/4FH.Zr/h4*1H;/q;;;;+4/p-4
• InChIKey: OMQSJNWFFJOIMO-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7783-64-4
• EC Number: 232-018-1
• MDL Number: MFCD00011307
• PubChem SID: 24858527; 162224536
• PubChem CID: 82216
• Chemspider ID: 74196
• Wikipedia Title: Zirconium(IV)_fluoride

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

• Solubility: 1.32 g/100mL (20 °C) ; 1.388 g/100mL (25 °C) in water
• Apperance: powder; white crystalline powder
• Melting Point: 910 °C; 910 °C(lit.)
• Flash Point: Non-flammable
• Density: 4.43 g/cm^3 (20 °C); 4.43 g/mL(lit.)

Safety Information

• RTECS: ZH7875000
• 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
• EU Index: Not listed
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• LD50: 98 mg/kg (oral, mouse)
• 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: ZrF4

DETAILS

Sigma Aldrich - 311464

Packaging
25, 100 g in poly bottle