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| CAS No.: | 6010-91-9 |
|---|---|
| Name: | ALLOXAN TETRAHYDRATE |
| Molecular Structure: | |
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|
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| Formula: | C4H10N2O8 |
| Molecular Weight: | 214.132 |
| Synonyms: | Mesoxalylurea tetrahydrate;2,4,5,6(1H,3H)-Pyrimidinetetrone,tetrahydrate (9CI);Alloxan, tetrahydrate (8CI); |
| EINECS: | 200-062-0 |
| Melting Point: | ~245 °C (dec.) |
| Boiling Point: | 656.2 °C at 760 mmHg |
| Flash Point: | 350.6 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 129.26000 |
| LogP: | -1.67810 |
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Specification
The 2,4,5,6(1H,3H)-Pyrimidinetetrone,hydrate (1:4), with the CAS registry number 6010-91-9, is also known as Alloxan tetrahydrat. It belongs to the product category of Pyridines, Pyrimidines, Purines and Pteredines. Its EINECS registry number is 200-062-0. This chemical's molecular formula is C4H10N2O8 and molecular weight is 214.13. Its IUPAC name is called pyrimidine-2,4,5,6(1H,3H)-tetrone tetrahydrate.
Physical properties of 2,4,5,6(1H,3H)-Pyrimidinetetrone,hydrate (1:4): (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 10; (7)#H bond donors: 10; (8)Flash Point: 350.6 °C; (9)Enthalpy of Vaporization: 107.12 kJ/mol; (10)Boiling Point: 656.2 °C at 760 mmHg; (11)Vapour Pressure: 2.83E-19 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O.O.O.O.O=C1C(=O)NC(=O)NC1=O
(2)InChI: InChI=1/C4H2N2O4.4H2O/c7-1-2(8)5-4(10)6-3(1)9;;;;/h(H2,5,6,8,9,10);4*1H2
(3)InChIKey: JJROYYCRHFNFNC-UHFFFAOYAY