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56961-78-5

Basic Information
CAS No.: 56961-78-5
Name: 2,4-Dichloro-5-methylpyridine
Article Data: 3
Molecular Structure:
Molecular Structure of 56961-78-5 (2,4-Dichloro-5-methylpyridine)
Formula: C6H5Cl2N
Molecular Weight: 162.018
Synonyms: 2,4-Dichloro-5-methylpyridine;
Density: 1.319g/cm3
Boiling Point: 221.2 °C at 760 mmHg
Flash Point: 108.6 °C
Solubility: Slightly soluble in water.
Hazard Symbols: Xn
Risk Codes: 22
PSA: 12.89000
LogP: 2.69680
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    2,4-Dichloro-5-methylpyridine

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    2,4-Dichloro-5-methylpyridine

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Specification

The 2,4-Dichloro-5-methylpyridine with cas registry number of 56961-78-5, belongs to the following product categorie: Pyridine. It has the systematic name of 2,4-dichloro-5-methylpyridine. And it is also named pyridine, 2,4-dichloro-5-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.9; (6)ACD/BCF (pH 7.4): 33.9; (7)ACD/KOC (pH 5.5): 433.49; (8)ACD/KOC (pH 7.4): 433.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 38.95 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 15.44×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 43.9 kJ/mol; (19)Vapour Pressure: 0.161 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc1cnc(Cl)cc1Cl;
(2)InChI: InChI=1/C6H5Cl2N/c1-4-3-9-6(8)2-5(4)7/h2-3H,1H3;
(3)InChIKey: DUPJNQNLAKJWKU-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C6H5Cl2N/c1-4-3-9-6(8)2-5(4)7/h2-3H,1H3;
(5)Std. InChIKey: DUPJNQNLAKJWKU-UHFFFAOYSA-N