difluorocalcium

• ChemBase ID: 110635
• Molecular Formular: CaF2
• Molecular Mass: 78.0748064
• Monoisotopic Mass: 77.95939742
• SMILES: F[Ca]F
• Canonical SMILES: F[Ca]F
• InChI: InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2
• InChIKey: WUKWITHWXAAZEY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: difluorocalcium
• IUPAC Traditional name: difluorocalcium
• Synonyms: Fluorite; Fluorspar; Calcium fluoride; CALCIUM FLUORIDE; 氟石; 氟化钙

Database IDs

• CAS Number: 7789-75-5
• EC Number: 232-188-7
• MDL Number: MFCD00010907
• PubChem SID: 24868503; 24854278; 24863582; 24845142; 162095836
• PubChem CID: 24617

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.185
• LogD (pH = 7.4): 0.185
• Log P: 0.185
• Molar Refractivity: 3.0026 cm^3
• Polarizability: 3.5345378 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; random crystals; white rod
• Boiling Point: 2500 °C(lit.)
• Density: 3.18 g/mL at 25 °C(lit.)

Safety Information

• RTECS: EW1760000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 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: ≥97.0%; ≥99.5% trace metals basis; ≥99.8%; 99.0-102.0%; 99.99%; 99.99% trace metals basis
• Grade: anhydrous; coating quality; optical grade; puriss.; SAJ first grade
• Particle Size: -325 mesh
• Impurities: ≤0.005% heavy metals (as Pb); ≤0.1% free acid (as HF)
• Cation Traces: As: ≤5 mg/kg; Fe: ≤100 mg/kg; Pb: ≤100 mg/kg
• Antion Traces: chloride (Cl-): ≤1000 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.5% loss on drying, 105°C, 2 h
• Quality: meets analytical specification of DAB
• Empirical Formula (Hill Notation): CaF2

DETAILS

MP Biomedicals - 05215779

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 378801

Packaging
25 g in poly bottle

Sigma Aldrich - 449717

Packaging
5, 25 g in glass bottle
Application
Employed in a study of selectivity and response time of ion-selective electrodes,1 and in the development of novel bioactive bone cements.2