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71037-71-3

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Basic Information
CAS No.: 71037-71-3
Name: 3-Chloro-6-(1H-imidazol-1-yl)pyridazine
Article Data: 7
Molecular Structure:
Molecular Structure of 71037-71-3 (3-Chloro-6-(1H-imidazol-1-yl)pyridazine)
Formula: C7H5ClN4
Molecular Weight: 180.6
Synonyms: 3-Chloro-6-(1H-imidazol-1-yl)pyridazine;3-Chloro-6-imidazolylpyridazine;
Density: 1.47g/cm3
Boiling Point: 416.4 °C at 760 mmHg
Flash Point: 205.6 °C
Hazard Symbols: IrritantXi
PSA: 43.60000
LogP: 1.31570
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Specification

The Pyridazine,3-chloro-6-(1H-imidazol-1-yl)-, with CAS registry number 71037-71-3, belongs to the following product categories: (1)Blocks; (2)Heterocycles; (3)Imidazoles. It has the systematic name of 3-chloro-6-(1H-imidazol-1-yl)pyridazine. And the chemical formula of this chemical is C7H5ClN4.

Physical properties of Pyridazine,3-chloro-6-(1H-imidazol-1-yl)-: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.9; (8)ACD/KOC (pH 7.4): 20.03; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 47.42 cm3; (15)Molar Volume: 122.3 cm3; (16)Polarizability: 18.79 10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 205.6 °C; (20)Enthalpy of Vaporization: 64.37 kJ/mol; (21)Boiling Point: 416.4 °C at 760 mmHg; (22)Vapour Pressure: 9.26E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nnc(cc1)n2ccnc2
(2)InChI: InChI=1/C7H5ClN4/c8-6-1-2-7(11-10-6)12-4-3-9-5-12/h1-5H
(3)InChIKey: VAJLJRMHTTUOFQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H5ClN4/c8-6-1-2-7(11-10-6)12-4-3-9-5-12/h1-5H
(5)Std. InChIKey: VAJLJRMHTTUOFQ-UHFFFAOYSA-N