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| CAS No.: | 5975-12-2 |
|---|---|
| Name: | 2,4-Dichloro-3-nitropyridine |
| Molecular Structure: | |
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| Formula: | C5H2Cl2N2O2 |
| Molecular Weight: | 192.989 |
| Synonyms: | 查看更多英文别名"> 2,4-Dichlor-3-nitro-pyridin;2,4'-DIMETHOXY-2'-HYDROXYCHALCONE 0.98;3-Nitro-2,4-dichlor-pyridin;4-dichloro-3-nitro;2,4-dichloro-3-nitro-pyridine;4,6-dicloro-5-nitropyridine;查看更多英文别名 |
| EINECS: | 224-340-6 |
| Density: | 1.63 g/cm3 |
| Melting Point: | 61.5-62 °C |
| Boiling Point: | 285.709 °C at 760 mmHg |
| Flash Point: | 126.593 °C |
| Appearance: | Light yellow needles |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| PSA: | 58.71000 |
| LogP: | 2.81980 |
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Specification
The systematic name of this chemical is 2,4-dichloro-3-nitropyridine. With the CAS registry number 5975-12-2, it is also named as pyridine, 2,4-dichloro-3-nitro-. The product categorie is pyridine. And this product is an organic compound that the formula is C5H2Cl2N2O2. In addition, it is used as pharmaceutical intermediate.
The other characteristics of 2,4-Dichloro-3-nitropyridine can be summarized as: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 118; (8)ACD/KOC (pH 7.4): 118; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 40.68 cm3; (14)Molar Volume: 118.4 cm3; (15)Polarizability: 16.127×10-24 cm3; (16)Surface Tension: 59.359 dyne/cm; (17)Density: 1.63 g/cm3; (18)Flash Point: 126.593 °C; (19)Enthalpy of Vaporization: 50.371 kJ/mol; (20)Boiling Point: 285.709 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES: O=[N+]([O-])c1c(Cl)ccnc1Cl;
2. InChI: InChI=1/C5H2Cl2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H;
3. InChIKey: RTXYIHGMYDJHEU-UHFFFAOYAM.