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CAS No.: | 53344-74-4 |
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Name: | 2,2'-DICHLORO-[4,4']-BIPYRIDINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H6Cl2N2 |
Molecular Weight: | 225.077 |
Synonyms: | 2,2'-Dichloro-4,4'-bipyridine; |
Density: | 1.364 g/cm3 |
Melting Point: | 240-243℃ |
Boiling Point: | 347.395 °C at 760 mmHg |
Flash Point: | 194.754 °C |
PSA: | 25.78000 |
LogP: | 3.45040 |
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The 4,4'-Bipyridine,2,2'-dichloro-, with the CAS registry number 53344-74-4, is also known as 2,2'-Dichloro-4,4'-bipyridine. Its molecular formula is C10H6Cl2N2 and its molecular weight is 225.074. What's more, it has the IUPAC name 2-Chloro-4-(2-chloro-4-pyridyl)pyridine. It belongs to the category of Heterocyclic Compounds.
Other characteristics of the 4,4'-Bipyridine,2,2'-dichloro- can be summarised as followings: (1)ACD/LogP: 2.57; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.574; (4)ACD/LogD (pH 7.4): 2.574; (5)ACD/BCF (pH 5.5): 53.282; (6)ACD/BCF (pH 7.4): 53.282; (7)ACD/KOC (pH 5.5): 599.098; (8)ACD/KOC (pH 7.4): 599.098; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 56.817 cm3; (15)Molar Volume: 165.067 cm3; (16)Surface Tension: 50.792 dyne/cm; (17)Density: 1.364 g/cm3; (18)Flash Point: 194.754 °C; (19)Enthalpy of Vaporization: 56.829 kJ/mol; (20)Boiling Point: 347.395 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(cc1c2ccnc(c2)Cl)Cl
(2) InChI: InChI=1/C10H6Cl2N2/c11-9-5-7(1-3-13-9)8-2-4-14-10(12)6-8/h1-6H
(3) InChIKey: KSELKNWXBOXHEV-UHFFFAOYAE