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10031-30-8

Basic Information
CAS No.: 10031-30-8
Name: Calcium phosphate monobasic
Molecular Structure:
Molecular Structure of 10031-30-8 (Calcium phosphate monobasic)
Formula: H6CaO9P2
Molecular Weight: 252.07
Synonyms: Phosphoricacid, calcium salt (2:1), monohydrate (8CI,9CI);Acid calcium phosphatehydrate;Calcium bis(dihydrogen phosphate) monohydrate;Calcium dihydrogenphosphate (Ca(H2PO4)2) monohydrate;Calcium dihydrogen phosphate monohydrate;Calcium hydrogen phosphate (Ca(H2PO4)2) monohydrate;Calcium phosphate(Ca(H2PO4)2) monohydrate;Calcium phosphate (Ca(H2PO4)2.H2O);Calciumsuperphosphate hydrate;Calcium tetrahydrogen diphosphate monohydrate;IbexMCP;Monocalcium orthophosphate monohydrate;Monocalcium phosphate monohydrate;Monocalcium superphosphate hydrate;Calcium perphosphate;
EINECS: 231-837-1
Density: 2.220^1^6
Melting Point: 100°C
Boiling Point: 158 °C at 760 mmHg
Flash Point: 203°C
Solubility: moderately soluble H2O; soluble dilute HCl, HNO3, acetic acid [MER06]
Appearance: White crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 190.03000
LogP: -1.04510
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Specification

The Calcium superphosphate with CAS registry number of 10031-30-8 is also known as monocalcium phosphate monohydrate. The IUPAC name is Calcium diphosphate hydrate. Its EINECS registry number is 231-837-1. In addition, the formula is H6CaO9P2 and the molecular weight is 252.07. This chemical is a white crystalline powder and most soluble in water. It is used for fertilizer, glass, plastic stabilizer, feed and should be sealed in cool, dry place without light.

Physical properties about Calcium superphosphate are: (1)ACD/LogP: -2.15; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)Polar Surface Area: 65.57Å2; (5)Boiling Point: 158 °C at 760 mmHg; (6)Vapour Pressure: 1.41 mmHg at 25 °C,

Preparation of Calcium superphosphate: it is prepared by reaction of phosphoric acid and calcium hydroxide with pH value of 3.2. Product is obtained by filtering, evaporation, cooling, crystallization, centrifugation, washing with acetone and drying.

Ca(OH)2 + 2 H3PO4 → Ca(H2PO4)2 · H2O + H2O

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 and gloves. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2]
2. InChI: InChI=1S/Ca.2H3O4P.H2O/c;2*1-5(2,3)4;/h;2*(H3,1,2,3,4);1H2/q+2;;;/p-6
3. InChIKey: ZBZJARSYCHAEND-UHFFFAOYSA-H

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 15250mg/kg (15250mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987.
rabbit LD skin > 300mg/kg (300mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 47, 1990.
rat LD50 oral 17500mg/kg (17500mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987.