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| CAS No.: | 1007-99-4 |
|---|---|
| Name: | 2-AMINO-4-CHLORO-6-HYDROXY-5-NITROPYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C4H3ClN4O3 |
| Molecular Weight: | 190.546 |
| Synonyms: | 4(3H)-Pyrimidinone,2-amino-6-chloro-5-nitro- (7CI);4-Pyrimidinol, 2-amino-6-chloro-5-nitro-(6CI,8CI);2-Amino-4-chloro-5-nitro-6-hydroxypyrimidine;2-Amino-4-chloro-5-nitro-6-oxo-1,6-dihydropyrimidine;2-Amino-4-chloro-6-hydroxy-5-nitropyrimidine;2-Amino-4-hydroxy-5-nitro-6-chloropyrimidine;2-Amino-6-chloro-5-nitro-3H-pyrimidin-4-one;2-Amino-6-chloro-5-nitro-4(3H)-pyrimidinone;2-Amino-6-chloro-5-nitro-4-pyrimidinol;2-Amino-6-chloro-5-nitro-4-pyrimidinone;NSC 60046; |
| Density: | 2.2 g/cm3 |
| Melting Point: | >350 °C |
| Boiling Point: | 268.2 °C at 760 mmHg |
| Flash Point: | 116 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 117.85000 |
| LogP: | 1.43040 |
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Specification
The 2-Amino-4-chloro-5-nitro-6-hydroxypyrimidine, with the CAS registry number 1007-99-4, is also known as 2-Amino-6-chloro-5-nitropyrimidin-4(3H)-one. This chemical's molecular formula is C4H3ClN4O3 and molecular weight is 190.54. Its systematic name is called 2-amino-6-chloro-5-nitropyrimidin-4(1H)-one. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Amino-4-chloro-5-nitro-6-hydroxypyrimidine: (1)ACD/LogP: -1.29; (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: 7; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.816; (10)Molar Refractivity: 37.56 cm3; (11)Molar Volume: 86.5 cm3; (12)Surface Tension: 110.4 dyne/cm; (13)Density: 2.2 g/cm3; (14)Flash Point: 116 °C; (15)Enthalpy of Vaporization: 50.63 kJ/mol; (16)Boiling Point: 268.2 °C at 760 mmHg; (17)Vapour Pressure: 0.00778 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])\C1=C(/Cl)N\C(=N/C1=O)N
(2)InChI: InChI=1/C4H3ClN4O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H3,6,7,8,10)
(3)InChIKey: UTTPUMOOQSNOHH-UHFFFAOYAT