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Methyl 2-chlorophenylacetate

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Name

Methyl 2-chlorophenylacetate

EINECS 260-764-8
CAS No. 57486-68-7 Density 1.197 g/cm3
PSA 26.30000 LogP 2.05550
Solubility N/A Melting Point N/A
Formula C9H9ClO2 Boiling Point 240.3 °C at 760 mmHg
Molecular Weight 184.622 Flash Point 108.8 °C
Transport Information N/A Appearance clear colorless liquid.
Safety 24/25 Risk Codes  Xi:刺激性物质;
Molecular Structure Molecular Structure of 57486-68-7 (Methyl 2-chlorophenylacetate) Hazard Symbols IrritantXi
Synonyms

(2-Chlorophenyl)aceticacid methyl ester;2-Chlorobenzeneacetic acid methyl ester;Methyl(2-chlorophenyl)acetate;Methyl (o-chlorophenyl)acetate;

Article Data 38

Methyl 2-chlorophenylacetate Specification

The Benzeneacetic acid,2-chloro-, methyl ester, with the CAS registry number 57486-68-7, is also known as 2-Chlorobenzeneacetic acid methyl ester. It belongs to the product category of Aromatic Esters. Its EINECS number is 260-764-8. This chemical's molecular formula is C9H9ClO2 and formula weight is 184.62. What's more, its IUPAC name is methyl 2-(2-chlorophenyl)acetate. Its systematic name is Methyl (2-chlorophenyl)acetate. When using it, you should avoid contact with skin and eyes.

Physical properties of Benzeneacetic acid,2-chloro-, methyl ester are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.04; (6)ACD/BCF (pH 7.4): 52.04; (7)ACD/KOC (pH 5.5): 589.11; (8)ACD/KOC (pH 7.4): 589.11; (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: 1.523; (14)Molar Refractivity: 47.1 cm3; (15)Molar Volume: 154.1 cm3; (16)Surface Tension: 38.5 dyne/cm; (17)Density: 1.197 g/cm3; (18)Flash Point: 108.8 °C; (19)Enthalpy of Vaporization: 47.73 kJ/mol; (20)Boiling Point: 240.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0382 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CC1=CC=CC=C1Cl
(2)InChI: InChI=1S/C9H9ClO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
(3)InChIKey: KHBWTRFWQROKJZ-UHFFFAOYSA-N

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