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Name |
1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethanone |
EINECS | 256-273-3 |
CAS No. | 46503-52-0 | Density | 1.38 g/cm3 |
PSA | 34.89000 | LogP | 3.07280 |
Solubility | N/A | Melting Point |
76-78 °C(Solv: ethyl ether (60-29-7)) |
Formula | C11H8Cl2N2O | Boiling Point | 441.1 °C at 760 mmHg |
Molecular Weight | 255.103 | Flash Point | 220.6 °C |
Transport Information | N/A | Appearance | Off-white solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2,4-Dichlorobenzoylmethyl)imidazole;1-(2,4-Dichlorophenacyl)imidazole;1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone;1-(2,4-Dichlorophenyl)-2-(1H-imidazolyl)ethanone;1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethanone;2,4-Dichlorophenyl(1,3-imidazole-1-yl)methyl ketone;2',4'-Dichloro-2-(imidazol-1-yl)acetophenone; |
Article Data | 42 |
The Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, with CAS registry number 46503-52-0, has the systematic name of 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone. And the chemical formula of this chemical is C11H8Cl2N2O. What's more, its EINECS is 256-273-3.
Physical properties of Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 9.81; (6)ACD/BCF (pH 7.4): 37.28; (7)ACD/KOC (pH 5.5): 120.88; (8)ACD/KOC (pH 7.4): 459.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 65.2 cm3; (15)Molar Volume: 184 cm3; (16)Polarizability: 25.84×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Enthalpy of Vaporization: 69.84 kJ/mol; (19)Vapour Pressure: 5.57E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-bromo-1-(2,4-dichloro-phenyl)-ethanone and 1H-imidazole. This reaction will need solvent CHCl3. The reaction temperature is 0 ℃.
Uses of Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-: it can be used to produce 2-(2,4-dichloro-phenyl)-1-imidazol-1-yl-propan-2-ol. This reaction will need reagent Mg and solvents diethyl ether, tetrahydrofuran. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1Cl)Cn2ccnc2
(2)InChI: InChI=1/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
(3)InChIKey: YAEYBUZMILPYLT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
(5)Std. InChIKey: YAEYBUZMILPYLT-UHFFFAOYSA-N