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| CAS No.: | 12167-74-7 |
|---|---|
| Name: | Calcium phosphate, tribasic |
| Molecular Structure: | |
|
|
|
| Formula: | HCa5O13P3 |
| Molecular Weight: | 1004.64 |
| Synonyms: | Hydroxyapatite or hydroxylapatite;Tribasic Calcium Phosphate;Calcium hydroxide phosphate (Ca5(OH)(PO4)3);Pentacalcium hydroxide tris(orthophosphate), with a fluorine content of less than 0,005 % by weight on the dry anhydrous product;Calcium phosphatetri-basic;Tri-Calcium Phosphate(TCP); |
| EINECS: | 231-840-8 |
| Density: | 1.038 g/mL at 25 °C |
| Melting Point: | 1100 °C(lit.) |
| Boiling Point: | 158 °C at 760 mmHg |
| Solubility: | 0.1 g/L (25℃) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25-22 |
| PSA: | 311.24000 |
| LogP: | 0.98120 |
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Chemistry
Molecular Structure of Calcium phosphate, tribasic (CAS NO.12167-74-7):
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IUPAC Name: pentacalcium hydroxide triphosphate
Empirical Formula: HCa5O13P3
Molecular Weight: 502.3114
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 0
Density: 1.038 g/mL at 25 °C
Polar Surface Area: 87.57Å2
Boiling Point: 158 °C at 760 mmHg
Vapour Pressure: 1.41 mmHg at 25°C
Melting point: 1100 °C(lit.)
Storage temp: 2-8°C
Merck: 1694
InChI
InChI=1/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
Smiles
[Ca+2].[Ca+2].[Ca+2].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O
EINECS: 231-840-8
Product Categories: Inorganics; Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds; 20: Ca;Materials Science; Nanomaterials; NanomaterialsMaterials Science; Nanoparticles: Oxides, Nitrides, and Other CeramicsNanomaterials; Nanopowders and Nanoparticle Dispersions; New Products for Materials Research and Engineering
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
S22:Do not breathe dust.
WGK Germany: 3
Specification
Calcium phosphate, tribasic , with CAS number of 12167-74-7, can be called Calcium hydroxide phosphate (5:1:3) ; Calcium hydroxide phosphate ; Hydroxyapatite ; Hydroxyapatite or hydroxylapatite .