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| CAS No.: | 85259-19-4 |
|---|---|
| Name: | Methyl alpha-bromo-2-chlorophenylacetate |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C9H8BrClO2 |
| Molecular Weight: | 263.518 |
| Synonyms: | Methyl α-bromo-2-chlorobenzeneacetate;Methyl α-bromo-2-chlorophenylacetate;Methyl 2-bromo-2-(2-chlorophenyl)acetate; |
| EINECS: | 617-693-6 |
| Density: | 1.567 g/cm3 |
| Boiling Point: | 281.096 °C at 760 mmHg |
| Flash Point: | 123.802 °C |
| Appearance: | Light-Yellow Oil |
| PSA: | 26.30000 |
| LogP: | 2.94900 |
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Specification
The Benzeneacetic acid, α-bromo-2-chloro-, methyl ester, with the CAS registry number 85259-19-4, is also known as Methyl α-bromo-2-chlorobenzeneacetate. It belongs to the product categories of Chemical Activators; Activators. This chemical's molecular formula is C9H8BrClO2 and molecular weight is 263.52. What's more, its systematic name is methyl bromo(2-chlorophenyl)acetate.
Physical properties of Benzeneacetic acid, α-bromo-2-chloro-, methyl ester are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 233; (6)ACD/BCF (pH 7.4): 233; (7)ACD/KOC (pH 5.5): 1723; (8)ACD/KOC (pH 7.4): 1723; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 54.84 cm3; (15)Molar Volume: 168.12 cm3; (16)Polarizability: 21.74×10-24cm3; (17)Surface Tension: 44.844 dyne/cm; (18)Density: 1.567 g/cm3; (19)Flash Point: 123.802 °C; (20)Enthalpy of Vaporization: 51.987 kJ/mol; (21)Boiling Point: 281.096 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(Br)C(=O)OC
(2)InChI: InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
(3)InChIKey: HMBUCZUZRQQJQD-UHFFFAOYSA-N