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CAS No.: | 13397-24-5 |
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Name: | CALCIUM SULFATE HEMIHYDRATE |
Molecular Structure: | |
Formula: | CaSO4.2H2O |
Molecular Weight: | 154.16 |
Synonyms: | Gypsum(8CI);B 13 (gypsum);B-YN Plaster;B-YNN Plaster;Calcined gypsum;CoCoat T;Crystacal R;Duracal Cement;FT 2;G 10;G 16;G 40;G 6;G 7;G 75;G 7A;Gips;Gypsite;Gypstone L;Hydrocal;Hydroperm;J 5;Landplaster;New Diastone;PE 20A;Primoplast;Soil-Saver;Tiger Kencoat; |
EINECS: | 13397-24-5 |
Density: | 2.32 |
Melting Point: | 1450 °C |
Boiling Point: | 330 °C at 760 mmHg |
Appearance: | White or nearly white, odorless, crystalline solid. |
Hazard Symbols: | T,N |
Risk Codes: | 49-42/43-51/53 |
Safety: | 53-22-36/37-45-60 |
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The Gypsum(CaSO4.2H2O), with the CAS registry number 13397-24-5, has the systematic name of calcium sulfate hydrate (1:1:2). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is CaSO4.2H2O.
Physical properties about Gypsum are: (1)ACD/LogP: -1.031; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.53; (4)ACD/LogD (pH 7.4): -5.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 82.98 Å2; (11)Enthalpy of Vaporization: 62.94 kJ/mol; (12)Boiling Point: 330 °C at 760 mmHg; (13)Vapour Pressure: 3.35E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
1. Avoid exposure - obtain special instruction before use;
2. Do not breathe dust;
3. Wear suitable protective clothing and gloves;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
5. This material and/or its container must be disposed of as hazardous waste;
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]S([O-])(=O)=O.O.O
(2)InChI: InChI=1/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
(3)InChIKey: PASHVRUKOFIRIK-NUQVWONBAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | TCLo | inhalation | 194gm/m3/10Y- (194000mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: FIBROSING ALVEOLITIS | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 11(10), Pg. 23, 1967. |