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24155-30-4

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Basic Information
CAS No.: 24155-30-4
Name: 1-(4-BROMOPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
Article Data: 9
Molecular Structure:
Molecular Structure of 24155-30-4 (1-(4-BROMOPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE)
Formula: C11H9BrN2O
Molecular Weight: 265.109
Synonyms: Acetophenone,4'-bromo-2-imidazol-1-yl- (8CI);
Density: 1.489 g/cm3
Melting Point: 130-132 °C(Solv: ethanol (64-17-5))
Boiling Point: 461.38 °C at 760 mmHg
Flash Point: 232.835 °C
PSA: 34.89000
LogP: 2.52850
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Specification

The Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-, with the CAS registry number 24155-30-4, is also known as Acetophenone,4'-bromo-2-imidazol-1-yl- (8CI). It belongs to the product category of API Intermediates. This chemical's molecular formula is C11H9BrN2O and molecular weight is 265.11. What's more, its IUPAC name and systematic name are the same which is called 1-(4-bromophenyl)-2-imidazol-1-ylethanone.

Physical properties about Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 65; (8)ACD/KOC (pH 7.4): 291; (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: 1.633; (14)Molar Refractivity: 63.559 cm3; (15)Molar Volume: 178.004 cm3; (16)Surface Tension: 49.67 dyne/cm; (17)Density: 1.489 g/cm3; (18)Flash Point: 232.835 °C; (19)Enthalpy of Vaporization: 72.223 kJ/mol; (20)Boiling Point: 461.38 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-: it can be obtained by 2-Bromo-1-(4-bromo-phenyl)-ethanone and 1H-imidazole. The reaction occurs with solvent dimethylformamide at temperature of 5 - 25°C. The yield is 11%.

Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)- can be obtained by 2-Bromo-1-(4-bromo-phenyl)-ethanone and 1H-imidazole

Uses of Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-: it is used to produce other chemicals. For example, it can react with 1H-Imidazole and Trimethyl-oxo-λ4-sulfanium; iodide to get 2-(4-Bromo-phenyl)-1,3-di-imidazol-1-yl-propan-2-ol. The reaction occurs with reagents KOH, 2-methyl-propan-2-ol and other condition of heating for 18 hours. The yield is 85%.

Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)- can react with 1H-Imidazole and Trimethyl-oxo-λ4-sulfanium; iodide to get 2-(4-Bromo-phenyl)-1,3-di-imidazol-1-yl-propan-2-ol

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cn1ccnc1)c2ccc(Br)cc2
(2) InChI: InChI=1/C11H9BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2
(3) InChIKey: YTZCOVPVCBETSO-UHFFFAOYAO