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Ethyl 2-chloro-6-fluorophenylacetate

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Name

Ethyl 2-chloro-6-fluorophenylacetate

EINECS N/A
CAS No. 214262-85-8 Density 1.238 g/cm3
PSA 26.30000 LogP 2.58470
Solubility N/A Melting Point N/A
Formula C10H10ClFO2 Boiling Point 254.6 ºC at 760 mmHg
Molecular Weight 216.64 Flash Point 96.4 ºC
Transport Information N/A Appearance clear colorless to pale yellow liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 214262-85-8 (Ethyl 2-chloro-6-fluorophenylacetate) Hazard Symbols IrritantXi
Synonyms

Ethyl2-chloro-6-fluorophenylacetate;

Article Data 2

Ethyl 2-chloro-6-fluorophenylacetate 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

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