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| CAS No.: | 2178-24-7 |
|---|---|
| Name: | Ethyl 2-(2-bromophenyl)acetate |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C10H11BrO2 |
| Molecular Weight: | 243.1 |
| Synonyms: | Ethyl 2-(2-bromophenyl)acetate; |
| EINECS: | 220-735-2 |
| Density: | 1.389 g/cm3 |
| Melting Point: | 35-38℃ |
| Boiling Point: | 280.9 °C at 760 mmHg |
| Flash Point: | 123.7 °C |
| Transport Information: | UN 3261 |
| PSA: | 26.30000 |
| LogP: | 2.55470 |
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Specification
The Benzeneacetic acid,2-bromo-, ethyl ester, with the CAS registry number of 2178-24-7, is also known as Ethyl 2-(2-bromophenyl)acetate. This chemical's molecular formula is C10H11BrO2. What's more, its systematic name is Ethyl (2-bromophenyl)acetate.
Physical properties about the Benzeneacetic acid,2-bromo-, ethyl ester are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 179.66; (6)ACD/BCF (pH 7.4): 179.66; (7)ACD/KOC (pH 5.5): 1430.04; (8)ACD/KOC (pH 7.4): 1430.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 54.53 cm3; (15)Molar Volume: 174.9 cm3; (16)Surface Tension: 39.5 dyne/cm; (17)Density: 1.389 g/cm3; (18)Flash Point: 123.7 °C; (19)Enthalpy of Vaporization: 51.96 kJ/mol; (20)Boiling Point: 280.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00368 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccccc1CC(=O)OCC
(2) InChI: InChI=1/C10H11BrO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
(3) InChIKey: MZQXAVZPEZUJIJ-UHFFFAOYAD