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| CAS No.: | 1344-95-2 |
|---|---|
| Name: | Calcium silicate |
| Molecular Structure: | |
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| Formula: | Ca2SiO4 |
| Molecular Weight: | 116.16 |
| Synonyms: | CS lafarge;Calcium hydrosilicate;Calcium metasilicate;Calcium polysilicate;Calcium silicate, synthetic nonfibrous;Calflo E;Calsil;Florite R;Marimet 45;Micro-cel; |
| EINECS: | 215-710-8 |
| Density: | 2.9g/mLat 25°C(lit.) |
| Melting Point: | 1540 °C, 1813 K, 2804 °F |
| Solubility: | insoluble H2O [HAW93] |
| Appearance: | White crystals |
| Hazard Symbols: | R36/37:; |
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 22-26-37/39 |
| PSA: | 92.24000 |
| LogP: | -0.85600 |
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Specification
The Calcium silicate, with the CAS registry number 1344-95-2 and EINECS registry number 215-710-8, has the systematic name of dicalcium orthosilicate. It is a white powder with a low bulk density and high physical water absorption. And the molecular formula of this chemical is Ca2O4Si.
The Calcium silicate is one of group of compounds obtained by reacting calcium oxide and silica in various ratios. For example, 3CaO.SiO2, Ca3SiO5; 2CaO.SiO2, Ca2SiO4; 3CaO.2SiO2, Ca3Si2O7 and CaO.SiO2, CaSiO3. And it is usually used as an anti-caking agent and an antacid. And it is also used in roads, insulation, bricks, roof tiles, table salt and occurs in cements, where it is known as belite.
The physical properties of Calcium silicate are as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.84; (6)ACD/BCF (pH 7.4): 1.84; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 80.92 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-]
(2)InChI: InChI=1/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4
(3)InChIKey: JHLNERQLKQQLRZ-UHFFFAOYAW