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79739-22-3

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Basic Information
CAS No.: 79739-22-3
Name: 6-CHLORO-[3,4']-BIPYRIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 79739-22-3 (6-CHLORO-[3,4']-BIPYRIDINE)
Formula: C10H7ClN2
Molecular Weight: 190.632
Synonyms: 6-CHLORO-[3,4]-BIPYRIDINE
Density: 1.245 g/cm3
Boiling Point: 323.1 °C at 760 mmHg
Flash Point: 178.9 °C
PSA: 25.78000
LogP: 2.79700
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Specification

The 3,4'-Bipyridine,6-chloro- is an organic compound with the formula C10H7ClN2. The systematic name of this chemical is 6-chloro-3,4'-bipyridine. With the CAS registry number 79739-22-3, it is also named as 2-chloro-5-(4-pyridyl)pyridine. Besides, it should be stored in a closed cool and dry place.

Physical properties about 3,4'-Bipyridine,6-chloro- are: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 16.91; (5)ACD/BCF (pH 7.4): 16.97; (6)ACD/KOC (pH 5.5): 263.21; (7)ACD/KOC (pH 7.4): 264.09; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78 Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 51.92 cm3; (13)Molar Volume: 153.1 cm3; (14)Polarizability: 20.58×10-24cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.245 g/cm3; (17)Flash Point: 178.9 °C; (18)Enthalpy of Vaporization: 54.26 kJ/mol; (19)Boiling Point: 323.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000504 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncc(c1ccncc1)cc2
(2)InChI: InChI=1/C10H7ClN2/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8/h1-7H
(3)InChIKey: AZESIBFJNSNUBT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H7ClN2/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8/h1-7H
(5)Std. InChIKey: AZESIBFJNSNUBT-UHFFFAOYSA-N