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| CAS No.: | 7789-75-5 |
|---|---|
| Name: | Calcium fluoride |
| Molecular Structure: | |
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| Formula: | CaF2 |
| Molecular Weight: | 78.07 |
| Synonyms: | Calciumfluoride (8CI);Calcium difluoride;Calcium difluoride (CaF2);HO 100;Irtran 3;Calcium fluoride (CaF2);Fluorure de calcium;Fluorspar;Fluorite;Natural fluorite; |
| EINECS: | 232-188-7 |
| Density: | 3.18 g/cm3 |
| Melting Point: | 1418 °C |
| Boiling Point: | 2533 °C |
| Flash Point: | 2500°C |
| Solubility: | 0.0015 g/100 mL at 18 °C in water |
| Appearance: | odorless gray powder or granules |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-36 |
| Transport Information: | N/A |
| PSA: | 0.00000 |
| LogP: | -5.99200 |
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The IUPAC name of Calcium fluoride is calcium difluoride. With the CAS registry number 7789-75-5, it is also named as Fluorure de calcium. The product's categories are Coating Material; Ch Fluorine Compounds; Inorganic Salts; Chemical Mineral Raw Materials; Inorganics, and the other registry number is 29070-15-3. Besides, it is odorless gray powder or granules, which should be stored in ventilated, dry warehouse away from acids. It is stable and incompatible with acids. In addition, its molecular formula is CaF2 and molecular weight is 78.07. This ionic compound of calcium and fluorine occurs naturally as the mineral fluorite. It is the source of most of the world's fluorine.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Exact Mass: 77.959398; (5)MonoIsotopic Mass: 77.959398; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 3; (8)Complexity: 2.8; (9)Density: 3.18 g/cm3; (10)Melting point: 1418 °C; (11)Boiling point: 2533 °C; (12)Flash point: 2500 °C; (13)Solubility in water: 0.0015 g/100 mL at 18 °C; (14)EINECS: 232-188-7.
Preparation of Calcium fluoride: this chemical can be prepared by treating Calcium carbonate with Hydrofluoric acid:
CaCO3 + 2 HF → CaF2 + CO2 + H2O
Uses of Calcium fluoride: this chemical is commonly used as a window material for both infrared and ultraviolet wavelengths in the laboratory. This use has largely been superseded by newer glasses and computer aided design. Moreover, Uranium-doped Calcium fluoride was the second type of solid state laser invented. It is also used as a flux for melting and liquid processing of iron, steel and their composites. Furthermore, it can react with concentrated sulfuric acid to produce Hydrogen fluoride:
CaF2(s) + H2SO4 → CaSO4(solid) + 2 HF(g)
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Ca+2].[F-].[F-]
(2)InChI: InChI=1/Ca.2FH/h;2*1H/q+2;;/p-2
(3)InChIKey: WUKWITHWXAAZEY-NUQVWONBAZ
(4)Std. InChI: InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2
(5)Std. InChIKey: WUKWITHWXAAZEY-UHFFFAOYSA-L
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | oral | > 5gm/kg (5000mg/kg) | Merck Index. Vol. 11, Pg. 253, 1989. | |
| mammal (species unspecified) | LD | intraperitoneal | > 10gm/kg (10000mg/kg) | Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (7), Pg. 32, 1994. | |
| mouse | LD50 | intraperitoneal | 2638mg/kg (2638mg/kg) | Deutsche Zahnaerztliche Zeitschrift. Vol. 34, Pg. 484, 1979. | |
| rat | LD50 | intraperitoneal | > 1500mg/kg (1500mg/kg) | U.S. Atomic Energy Commission, University of Rochester, Research and Development Reports. Vol. UR-154, Pg. 1951, | |
| rat | LD50 | oral | 4250mg/kg (4250mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Vestnik Akademii Meditsinskikh Nauk SSSR. Journal of the Academy of Medical Sciences of the USSR. Vol. (2), Pg. 28, 1977. |
