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5975-12-2

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Basic Information
CAS No.: 5975-12-2
Name: 2,4-Dichloro-3-nitropyridine
Article Data: 31
Molecular Structure:
Molecular Structure of 5975-12-2 (2,4-Dichloro-3-nitropyridine)
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.