1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethanone supplier

Name
1-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL) ETHANONE
EINECS 256-273-3
CAS No. 46503-52-0
Article Data42
CAS DataBase
Density 1.38 g/cm³
Solubility
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
Appearance Off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 34.89000
LogP 3.07280

1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethanone Specification

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

Product Name

1-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL) ETHANONE

1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethanone Specification

Related Products

Hot Products