Record Information
Version1.0
Creation Date2016-05-19 04:42:15 UTC
Update Date2016-11-09 01:15:08 UTC
Accession NumberCHEM015051
Identification
Common NameCalcium fluoride
ClassSmall Molecule
Description
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
CaF2ChEBI
Calcium fluorideChEBI
FluoriteChEBI
KalziumdifluoridChEBI
KalziumfluoridChEBI
Chemical FormulaCaF2
Average Molecular Mass78.075 g/mol
Monoisotopic Mass77.959 g/mol
CAS Registry Number7789-75-5
IUPAC Namecalcium difluoride
Traditional Namecalcium difluoride
SMILES[F-].[F-].[Ca++]
InChI IdentifierInChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2
InChI KeyWUKWITHWXAAZEY-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkaline earth metal fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is a lanthanide.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal salts
Sub ClassAlkaline earth metal fluorides
Direct ParentAlkaline earth metal fluorides
Alternative Parents
Substituents
  • Alkaline earth metal fluoride
  • Inorganic calcium salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility46.5 g/LALOGPS
logP1.07ALOGPS
logP-0.57ChemAxon
logS-0.22ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCalcium fluoride
Chemspider IDNot Available
ChEBI ID35437
PubChem Compound ID24617
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available