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52426-66-1

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Basic Information
CAS No.: 52426-66-1
Name: Pyridine, 5-(chloromethyl)-2-methyl- (6CI,9CI)
Article Data: 17
Molecular Structure:
Molecular Structure of 52426-66-1 (Pyridine, 5-(chloromethyl)-2-methyl- (6CI,9CI))
Formula: C7H8ClN
Molecular Weight: 141.6
Synonyms: 3-Chloromethyl-6-methylpyridine;5-Chloromethyl-2-methylpyridine;6-Methyl-3-(chloromethyl)pyridine;6-Methyl-3-pyridylmethyl chloride;
Density: 1.118 g/cm3
Boiling Point: 216.568 °C at 760 mmHg
Flash Point: 105.279 °C
PSA: 12.89000
LogP: 2.28490
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Specification

The Pyridine,5-(chloromethyl)-2-methyl-, with CAS registry number 52426-66-1, belongs to the following product category: Pyridine. It has the systematic name of 5-(chloromethyl)-2-methylpyridine. Besides this, it is also called Pyridine, 5-(chloromethyl)-2-methyl- (6CI,9CI). And the chemical formula of this chemical is C7H8ClN. 

Physical properties of Pyridine,5-(chloromethyl)-2-methyl-: (1)ACD/LogP: 1.65; (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): 5; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 100; (8)ACD/KOC (pH 7.4): 146; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 38.935 cm3; (15)Molar Volume: 126.628 cm3; (16)Polarizability: 15.435×10-24cm3; (17)Surface Tension: 37.964 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 105.279 °C; (20)Enthalpy of Vaporization: 43.448 kJ/mol; (21)Boiling Point: 216.568 °C at 760 mmHg; (22)Vapour Pressure: 0.204 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cnc(C)cc1
(2)InChI: InChI=1/C7H8ClN/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,4H2,1H3
(3)InChIKey: ZDEBRYJZUMDNFA-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H8ClN/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,4H2,1H3
(5)Std. InChIKey: ZDEBRYJZUMDNFA-UHFFFAOYSA-N