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2D Structure
Also known as: 7789-75-5, Calcium difluoride, Calcium;difluoride, Caf2, Mfcd00010907, Kalziumfluorid
Molecular Formula
CaF2
Molecular Weight
78.07  g/mol
InChI Key
WUKWITHWXAAZEY-UHFFFAOYSA-L
FDA UNII
O3B55K4YKI

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;difluoride
2.1.2 InChI
InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2
2.1.3 InChI Key
WUKWITHWXAAZEY-UHFFFAOYSA-L
2.1.4 Canonical SMILES
[F-].[F-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
O3B55K4YKI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 7789-75-5

2. Calcium Difluoride

3. Calcium;difluoride

4. Caf2

5. Mfcd00010907

6. Kalziumfluorid

7. Kalziumdifluorid

8. Amethystum

9. Fluoritum

10. Zishiyin

11. Calcii Fluoridum

12. Calcium Fluorite

13. Zi Shi Ying

14. Fluoritum [chp]

15. Calcium Fluoride, Ultra Dry

16. Purple Stone Radiance

17. Calcium Fluoride [mi]

18. Calcium Fluoride Nanoparticles

19. Calcium Fluoride, Precipitated

20. Calcium Fluoride [hsdb]

21. Calcium Fluoride [inci]

22. Calcium Fluoride, Reagent Grade

23. Calcarea Fluorica [hpus]

24. Dtxsid4050487

25. Calcium Fluoride (99.9%-ca)

26. Chebi:35437

27. Calcium Fluoride [mart.]

28. Titanium Diboride (tib2) Powder

29. Calcium Fluoride [who-dd]

30. Calcium Fluoride Sputtering Target

31. Akos015833222

32. Calcium Fluoride, Vacuum Deposition Grade

33. Flake Graphite With High Purity 200 Mesh

34. C3745

35. Calcium Fluoride, 99.985% (metals Basis)

36. Ft-0623393

37. Q413374

38. Ytterbium Manganese Oxide (ybmno3) Sputtering Targets

39. Calcium Fluoride Crystal Optic Disc, 13mm X 1mm, Polished Both Sides

40. Calcium Fluoride Crystal Optic Disc, 13mm X 2mm, Polished Both Sides

41. Calcium Fluoride Crystal Optic Disc, 38mm X 6mm, Polished Both Sides

42. Calcium Fluoride Crystal Optic Disk, 25mm X 4mm, Polished Both Sides

43. Calcium Fluoride Crystal Optic Rectangle, 30mm X 15mm X 4mm, Polished Both Sides

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 78.07 g/mol
Molecular Formula CaF2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass77.9593972 g/mol
Monoisotopic Mass77.9593972 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count3
Formal Charge0
Complexity0
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Drug and Medication Information
4.1 Drug Warning

Food and Environmental Agents: Effect on Breast-Feeding: Reported Sign or Symptom in Infant or Effect on Lactation: Fluorides: None. /from Table 7/

Report of the American Academy of Pediatrics Committee on Drugs in Pediatrics 93 (1): 142 (1994)


4.2 Minimum/Potential Fatal Human Dose

3(?). MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG; BETWEEN 1 OUNCE & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB).

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-78


5 Pharmacology and Biochemistry
5.1 Absorption, Distribution and Excretion

RATS EXPOSED DAILY TO 13 MG SHOWED GRADUAL INCR IN EXCRETION OF FLUORIDE FROM 2ND DAY AFTER TREATMENT. ON 1ST DAY FLUORIDE CONCN IN SERUM WAS 2 TIMES HIGHER THAN CONTROL. FLUORIDE LUNG CONCN WAS GREATER THAN OTHER ORGANS & LEVEL IN FEMUR & INCISORS WERE HIGHER THAN CONTROLS.

NAKAMURA I ET AL; SANGYO IGAKU 19(5) 266 (1977)


URINE FLUORIDE EXCRETION RANGED FROM 1.0 TO 9.6 MG F-/L (CONTROLS: 0.3-1.2) IN GROUP OF 50 WORKERS ENGAGED FOR APPROX 30 YR IN PHOSPHATE FERTILIZER PRODN. AMBIENT FLUORIDE (FLUORSPAR) CONCN RANGED FROM 0.15-0.62 MG/CU M & GASEOUS FLUORIDE RANGED FROM 0.04-0.17 MG/CU M.

FABBRI L ET AL; MED LAV 69(5) 594 (1978)


Gas chromatography was used to measure the maternal and fetal plasma inorganic fluoride values at term in 91 women. They were assigned to one of four groups: group A were untreated controls; group B received a single daily dose of 1.5 mg of fluoride (as calcium fluoride) during the final trimester of pregnancy; group C was given a single dose of 1.5 mg of fluoride (as sodium fluoride) and group D was given 2 daily doses of fluoride (as sodium fluoride) totaling 1.5 mg. There was a significant difference between the cord plasma fluoride levels of the newborns in the untreated group (mean: 27.8 ug/L) and that of the combined supplemented groups B, C and D (mean: 58.3 ug/L). There was no difference between the average fluoride levels in the three supplemented groups. In 17 women, gestation time between 19 and 34 weeks, fluoride levels were measured in the mother (mean: 17.11 ug/L) and in the foetus by cord tapping (mean: 35.64 ug/L). In 4 other mothers, was given a dose of 1 mg of sodium fluoride; one hour later, mean cord fluoride level was 86.5 ug/L. These results indicate that placental transfer of fluoride occurs early during pregnancy and that supplementation during the final trimester of pregnancy will significantly elevate cord plasma fluoride concentrations.

Caldera R; Cah Nutr Diet 26 (6): 408-11 (1991)