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| CAS No.: | 7790-76-3 |
|---|---|
| Name: | CALCIUM PYROPHOSPHATE |
| Molecular Structure: | |
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|
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| Formula: | Ca.1/2H4O7P2 |
| Molecular Weight: | 256.10 |
| Synonyms: | Calciumpyrophosphate (Ca2P2O7) (6CI);Pyrophosphoric acid, calcium salt (1:2) (8CI);C54-80;Calcium diphosphate (Ca2P2O7);Calcium phosphate (Ca2P2O7);Dicalcium diphosphate;Dicalcium pyrophosphate;NP 970-10;Calcium pyrophosphate; |
| EINECS: | 232-221-5 |
| Density: | 3.09 g/cm3 |
| Melting Point: | 1230 °C |
| Solubility: | insoluble in water, soluble in dilute hydrochloric acid and nitric acid, insoluble in alcohol |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 155.23000 |
| LogP: | 0.94120 |
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Specification
The Calcium pyrophosphate with CAS registry number of 7790-76-3 is also known as Dicalcium diphosphate. The IUPAC name is Dicalcium phosphonato phosphate. It belongs to product categories of Inorganics. Its EINECS registry number is 232-221-5. In addition, the formula is Ca.1/2H4O7P2 and the molecular weight is 256.10.
Physical properties about Calcium pyrophosphate are: (1)ACD/LogP: -3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.96; (4)ACD/LogD (pH 7.4): -8.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1 ; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 143.91Å2.
Preparation of Calcium pyrophosphate: it is prepared by reaction of anhydrous sodium pyrophosphate with danhydrous calcium chloride. Add anhydrous sodium pyrophosphate slowly to anhydrous calcium chloride under stirring, then heated to 90 °C. Remove the supernatant, and wash the lower liquid. Drying, calcining
, crushing to obtain the product.
Uses of Calcium pyrophosphate: it can be used as nutritional supplement, yeast nutrients, buffer, neutralizer. What's more, this chemical can also be used as toothpaste abrasive, paint filler, electrical equipment and fluorescent.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: [Ca+2].[Ca+2].[O-]P([O-])(=O)OP([O-])([O-])=O
2. InChI: InChI=1/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
3. InChIKey: JUNWLZAGQLJVLR-XBHQNQODAN
4. Std. InChI: InChI=1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
5. Std. InChIKey: JUNWLZAGQLJVLR-UHFFFAOYSA-J
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 3300mg/kg (3300mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 30(10), Pg. 28, 1965. | |
| mouse | LDLo | intraperitoneal | 100mg/kg (100mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 30(10), Pg. 28, 1965. |