| Specification: |
This chemical is called (Z)-2'-(1H-Imidazole-1-yl)-2,4-dichloroacetophenone oxime, and it can also be named as 1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone oxime. With the molecular formula of C11H9Cl2N3O, its molecular weight is 270.11. The CAS registry number of this chemical is 64211-06-9.
Other characteristics of the (Z)-2'-(1H-Imidazole-1-yl)-2,4-dichloroacetophenone oxime can be summarised as followings: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 29.8; (7)ACD/KOC (pH 5.5): 33.78; (8)ACD/KOC (pH 7.4): 379.16; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.41 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 68.25 cm3; (15)Molar Volume: 188.8 cm3; (16)Polarizability: 27.05×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 246.2 °C; (20)Enthalpy of Vaporization: 78.86 kJ/mol; (21)Boiling Point: 483.5 °C at 760 mmHg; (22)Vapour Pressure: 3.67E-10 mmHg at 25°C.
Uses of this chemical: The 1-(2,4-dichloro-phenyl)-2-imidazol-1-yl-ethylamine could be obtained by the reactant (Z)-2'-(1H-Imidazole-1-yl)-2,4-dichloroacetophenone oxime, the reagent hydrogen, the catalyst 10 percent palladium on charcoal and the solvent ethanol. The yield is 85 %. In addition, this reaction should be taken for 28 hours at the temperature of 20°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(\C(=N\O)Cn1ccnc1)c(Cl)c2
(2)InChI: InChI=1/C11H9Cl2N3O/c12-8-1-2-9(10(13)5-8)11(15-17)6-16-4-3-14-7-16/h1-5,7,17H,6H2/b15-11+ |
(3)InChIKey: WDFDJSRQMAZXEJ-RVDMUPIBBP
(4)Std. InChI: InChI=1S/C11H9Cl2N3O/c12-8-1-2-9(10(13)5-8)11(15-17)6-16-4-3-14-7-16/h1-5,7,17H,6H2/b15-11+
(5)Std. InChIKey: WDFDJSRQMAZXEJ-RVDMUPIBSA-N
|
