CALCIUM PYROPHOSPHATE

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: 143.91Ų.

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.