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| CAS No.: | 214262-85-8 |
|---|---|
| Name: | Ethyl 2-chloro-6-fluorophenylacetate |
| Article Data: | 2 |
| Molecular Structure: | |
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|
|
| Formula: | C10H10ClFO2 |
| Molecular Weight: | 216.64 |
| Synonyms: | Ethyl2-chloro-6-fluorophenylacetate; |
| Density: | 1.238 g/cm3 |
| Boiling Point: | 254.6 ºC at 760 mmHg |
| Flash Point: | 96.4 ºC |
| Appearance: | clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xi
|
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 2.58470 |
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Specification
The IUPAC name of Ethyl 2-chloro-6-fluorophenylacetate is ethyl 2-(2-chloro-6-fluorophenyl)acetate. With the CAS registry number 214262-85-8, it is also named as Benzeneacetic acid,2-chloro-6-fluoro-, ethyl ester. The product's category is acetics acid and esters. Besides, its molecular formula is C10H10ClFO2 and its molecular weight is 216.64. This chemical is clear colorless to pale yellow liquid, which should be stored in closed, cool and dry place at temperature of 0-6 °C. Moreover, when you are using this chemical, please avoid contact with skin and eyes.
The other characteristics of Ethyl 2-chloro-6-fluorophenylacetate can be summarized as: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.71; (6)ACD/BCF (pH 7.4): 66.71; (7)ACD/KOC (pH 5.5): 703.66; (8)ACD/KOC (pH 7.4): 703.66; (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: 1.503; (14)Molar Refractivity: 51.73 cm3; (15)Molar Volume: 174.9 cm3; (16)Polarizability: 20.5×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 96.4 °C; (20)Enthalpy of Vaporization: 49.2 kJ/mol; (21)Boiling Point: 254.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0171 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1cccc(F)c1CC(=O)OCC
(2)InChI:InChI=1/C10H10ClFO2/c1-2-14-10(13)6-7-8(11)4-3-5-9(7)12/h3-5H,2,6H2,1H3
(3)InChIKey:CEWCLHPMDWPDNQ-UHFFFAOYAQ
(4)Std. InChI:InChI=1S/C10H10ClFO2/c1-2-14-10(13)6-7-8(11)4-3-5-9(7)12/h3-5H,2,6H2,1H3
(5)Std. InChIKey:CEWCLHPMDWPDNQ-UHFFFAOYSA-N