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5229-40-3

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Basic Information
CAS No.: 5229-40-3
Name: 5-(CHLOROMETHYL)-2-PHENYLPYRIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 5229-40-3 (5-(CHLOROMETHYL)-2-PHENYLPYRIDINE)
Formula: C12H10ClN
Molecular Weight: 203.671
Synonyms: 5-Chloromethyl-2-phenylpyridine;
Density: 1.159g/cm3
Melting Point: 48-50°C
Boiling Point: 338.9 °C at 760 mmHg
Flash Point: 189.2 °C
Hazard Symbols: IrritantXi
PSA: 12.89000
LogP: 3.48740
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Specification

The Pyridine,5-(chloromethyl)-2-phenyl-, with CAS registry number 5229-40-3, has the systematic name of 5-(chloromethyl)-2-phenylpyridine. And the chemical formula of this chemical is C12H10ClN. Its molecular weight is 203.67.

Physical properties of Pyridine,5-(chloromethyl)-2-phenyl-: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 92.62; (6)ACD/BCF (pH 7.4): 93.94; (7)ACD/KOC (pH 5.5): 886.33; (8)ACD/KOC (pH 7.4): 899.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 58.7 cm3; (15)Molar Volume: 175.6 cm3; (16)Polarizability: 23.27×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 55.92 kJ/mol; (21)Boiling Point: 338.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc2cnc(c1ccccc1)cc2
(2)InChI: InChI=1/C12H10ClN/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8H2
(3)InChIKey: GKDIPQQWMXERFU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H10ClN/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8H2
(5)Std. InChIKey: GKDIPQQWMXERFU-UHFFFAOYSA-N