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CAS No.: | 72093-07-3 |
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Name: | 5-CHLORO-2-PICOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H6ClN |
Molecular Weight: | 127.573 |
Synonyms: | 2-Methyl-5-chloropyridine;3-Chloro-6-methylpyridine;5-Chloro-2-methylpyridine;5-Chloro-2-picoline; |
Density: | 1.15g/cm3 |
Boiling Point: | 163 °C at 760 mmHg |
Flash Point: | 62 °C |
PSA: | 12.89000 |
LogP: | 2.04340 |
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The 5-Chloro-2-picoline, with CAS registry number 72093-07-3, belongs to the following product categories: (1)Pyridine; (2)Pyridines. It has the systematic name of 5-chloro-2-methylpyridine. Besides this, it is also called pyridine, 5-chloro-2-methyl-. And the chemical formula of this chemical is C6H6ClN.
Physical properties of 5-Chloro-2-picoline: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.23; (6)ACD/BCF (pH 7.4): 20.53; (7)ACD/KOC (pH 5.5): 298.35; (8)ACD/KOC (pH 7.4): 302.67; (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: 1.526; (14)Molar Refractivity: 34.06 cm3; (15)Molar Volume: 110.8 cm3; (16)Polarizability: 13.5×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Enthalpy of Vaporization: 38.31 kJ/mol; (19)Vapour Pressure: 2.76 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(cc1)C
(2)InChI: InChI=1/C6H6ClN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
(3)InChIKey: DEMKNLXJQNYAFY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H6ClN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
(5)Std. InChIKey: DEMKNLXJQNYAFY-UHFFFAOYSA-N