6-(CHLOROFORMYL)HEXANOIC ACID ETHYL ESTER

The Ethyl 6-(chloroformyl)hexanoate, with the CAS registry number 14794-32-2, is also known as Ethyl 6-(Chloroformyl)hexanoate. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C₉H₁₅ClO₃ and molecular weight is 206.67. Its systematic name is called ethyl 7-chloro-7-oxoheptanoate. The product should be sealed in well-ventilated place.

Physical properties of Ethyl 6-(chloroformyl)hexanoate: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.64; (5)ACD/BCF (pH 7.4): 19.64; (6)ACD/KOC (pH 5.5): 293.27; (7)ACD/KOC (pH 7.4): 293.27; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 8; (10)Index of Refraction: 1.445; (11)Molar Refractivity: 50.39 cm³; (12)Molar Volume: 189 cm³; (13)Surface Tension: 34.5 dyne/cm; (14)Density: 1.093 g/cm³; (15)Flash Point: 92.9 °C; (16)Enthalpy of Vaporization: 48.73 kJ/mol; (17)Boiling Point: 250 °C at 760 mmHg; (18)Vapour Pressure: 0.0222 mmHg at 25°C.

Preparation: this chemical can be prepared by heptanedioic acid monoethyl ester. This reaction will need reagent PCl₅.

Uses of Ethyl 6-(chloroformyl)hexanoate: it can be used to produce heptanedioic acid ethyl ester 3-oxo-cyclopent-1-enyl ester at temperature of 20 °C. This reaction will need reagent pyridine and solvent CHCl₃ with reaction time of 1 hour. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It can cause burns. You should keep it away from sources of ignition - No smoking. What's more, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCCCCC(=O)OCC
(2)InChI: InChI=1/C9H15ClO3/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3
(3)InChIKey: NYZNYLOIPHDFKS-UHFFFAOYAZ