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CAS No.: | 41024-33-3 |
---|---|
Name: | ALPHA-BROMO-3-CHLOROBENZENEACETIC ACID ETHYL ESTER |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H10BrClO2 |
Molecular Weight: | 277.545 |
Synonyms: | Ethyl bromo(3-chlorophenyl)acetate; |
Density: | 1.503 g/cm3 |
Boiling Point: | 296.1 °C at 760 mmHg |
Flash Point: | 132.9 °C |
Hazard Symbols: | Xi |
PSA: | 26.30000 |
LogP: | 3.33910 |
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The CAS register number of Ethyl bromo(3-chlorophenyl)acetate is 41024-33-3. It also can be called as Benzeneacetic acid, α-bromo-3-chloro-, ethyl ester and the systematic name about this chemical is ethyl bromo(3-chlorophenyl)acetate. The molecular formula about this chemical is C10H10BrClO2 and the molecular weight is 277.54.
Physical properties about Ethyl bromo(3-chlorophenyl)acetate are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 3.95; (3)ACD/LogD (pH 7.4): 3.95; (4)ACD/BCF (pH 5.5): 590.61; (5)ACD/BCF (pH 7.4): 590.61; (6)ACD/KOC (pH 5.5): 3351.97; (7)ACD/KOC (pH 7.4): 3351.97; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 59.47 cm3; (13)Molar Volume: 184.6 cm3; (14)Polarizability: 23.57x10-24cm3; (15)Surface Tension: 43.7 dyne/cm; (16)Flash Point: 132.9 °C; (17)Enthalpy of Vaporization: 53.59 kJ/mol; (18)Boiling Point: 296.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00146 mmHg at 25°C.
Preparation: this chemical can be prepared by (3-chloro-phenyl)-acetic acid ethyl ester at heating. This reaction will need reagent NBS, 48percent aq. HBr and solvent CCl4. The yield is about 80%.
Uses of Ethyl bromo(3-chlorophenyl)acetate: it can be used to produce 1-(3-chloro-phenyl)-cyclopropane-1,2-dicarboxylic acid diethyl ester with acrylic acid ethyl ester at ambient temperature. This reaction will need reagent NaOEt and solvent diethyl ether with reaction time of 24 hours. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)C(Br)C(=O)OCC
(2)InChI: InChI=1/C10H10BrClO2/c1-2-14-10(13)9(11)7-4-3-5-8(12)6-7/h3-6,9H,2H2,1H3
(3)InChIKey: WEQPTHXMNMLSLW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H10BrClO2/c1-2-14-10(13)9(11)7-4-3-5-8(12)6-7/h3-6,9H,2H2,1H3
(5)Std. InChIKey: WEQPTHXMNMLSLW-UHFFFAOYSA-N