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| CAS No.: | 92138-35-7 |
|---|---|
| Name: | 2-Hydroxy-3-Nitro-6-Chloropyridine |
| Molecular Structure: | |
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| Formula: | C5H3ClN2O3 |
| Molecular Weight: | 174.543 |
| Synonyms: | 3-Nitro-6-chloro-2-pyridinol;6-Chloro-3-nitro-1H-pyridin-2-one;6-Chloro-3-nitro-2-pyridone; |
| Density: | 1.61 g/cm3 |
| Boiling Point: | 313.2 °C at 760 mmHg |
| Flash Point: | 143.2 °C |
| PSA: | 78.94000 |
| LogP: | 1.87200 |
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Specification
This chemical is called 2(1H)-Pyridinone, 6-chloro-3-nitro-, and its systematic name is 6-chloro-3-nitropyridin-2(1H)-one. With the molecular formula of C5H3ClN2O3, its molecular weight is 174.54. The CAS registry number of this chemical is 92138-35-7. Additionally, its product category is Pyridine.
Other characteristics of the 2(1H)-Pyridinone, 6-chloro-3-nitro- can be summarised as followings: (1)ACD/LogP: -0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.13 Å2; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 37.15 cm3; (13)Molar Volume: 108.2 cm3; (14)Polarizability: 14.72×10-24cm3; (15)Surface Tension: 58.7 dyne/cm; (16)Density: 1.61 g/cm3; (17)Flash Point: 143.2 °C; (18)Enthalpy of Vaporization: 55.43 kJ/mol; (19)Boiling Point: 313.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000503 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])\C1=C\C=C(\Cl)NC1=O
2.InChI: InChI=1/C5H3ClN2O3/c6-4-2-1-3(8(10)11)5(9)7-4/h1-2H,(H,7,9)
3.InChIKey: SCGNWULOSYKTQP-UHFFFAOYAT