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CAS No.: | 7500-37-0 |
---|---|
Name: | 2-(4-BROMOPHENYL)-2-OXOETHYL ACETATE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C10H9BrO3 |
Molecular Weight: | 257.084 |
Synonyms: | 2-(4-bromophenyl)-2-oxoethyl acetate; |
Density: | 1.48 g/cm3 |
Melting Point: | 84-86℃ |
Boiling Point: | 338.7 °C at 760 mmHg |
Flash Point: | 158.6 °C |
PSA: | 43.37000 |
LogP: | 2.19490 |
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The [2-(4-Bromophenyl)-2-oxo-ethyl] acetate is an organic compound with the formula C10H9BrO3. The IUPAC name of this chemical is [2-(4-bromophenyl)-2-oxoethyl] acetate. With the CAS registry number 7500-37-0, it is also named as 4-Bromophenacyl acetate.
Physical properties about [2-(4-Bromophenyl)-2-oxo-ethyl] acetate are: (1)ACD/LogP: 2.42; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 43.37 Å2; (5)Index of Refraction: 1.546; (6)Molar Refractivity: 55.01 cm3; (7)Molar Volume: 173.6 cm3; (8)Polarizability: 21.8×10-24cm3; (9)Surface Tension: 44 dyne/cm; (10)Density: 1.48 g/cm3; (11)Flash Point: 158.6 °C; (12)Enthalpy of Vaporization: 58.2 kJ/mol; (13)Boiling Point: 338.7 °C at 760 mmHg; (14)Vapour Pressure: 9.67E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid and 2-bromo-1-(4-bromo-phenyl)-ethanone. This reaction will need reagent KF and solvent dimethylformamide. The reaction time is 60 min at ambient temperature. The yield is about 95.3%.
Uses of [2-(4-Bromophenyl)-2-oxo-ethyl] acetate: it can be used to produce 1-(4-bromo-phenyl)-ethanone at temperature of 20 °C. It will need reagent 1,3-dimethyl-2-phenylbenzimidazoline, di-tert-butyl peroxyoxalate (DBPO) and solvent 48 hours. The yield is about 32.5%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)COC(=O)C
(2)InChI: InChI=1/C10H9BrO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
(3)InChIKey: DYDDLQHJYMWTMU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H9BrO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
(5)Std. InChIKey: DYDDLQHJYMWTMU-UHFFFAOYSA-N