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Name |
Pyridazine,3-chloro-6-(1H-imidazol-1-yl)- |
EINECS | N/A |
CAS No. | 71037-71-3 | Density | 1.47g/cm3 |
PSA | 43.60000 | LogP | 1.31570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5ClN4 | Boiling Point | 416.4 °C at 760 mmHg |
Molecular Weight | 180.6 | Flash Point | 205.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Chloro-6-(1H-imidazol-1-yl)pyridazine;3-Chloro-6-imidazolylpyridazine; |
Article Data | 7 |
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