CYCLOHEXYL 2-CHLOROACETATE

The Acetic acid, 2-chloro-, cyclohexyl ester, with the CAS registry number 6975-91-3, is also known as 1-[(Chloroacetyl)oxy]cyclohexane. This chemical's molecular formula is C₈H₁₃ClO₂ and molecular weight is 176.64. What's more, its systematic name is cyclohexyl chloroacetate. 

Physical properties of Acetic acid, 2-chloro-, cyclohexyl ester are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.465; (8)Molar Refractivity: 43.7 cm³; (9)Molar Volume: 157.9 cm³; (10)Surface Tension: 34.6 dyne/cm; (11)Density: 1.11 g/cm³; (12)Flash Point: 99.7 °C; (13)Enthalpy of Vaporization: 46.4 kJ/mol; (14)Boiling Point: 227.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0775 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride, cyclohexanol at the ambient temperature. This reaction will need reagent triethylamine and solvent diethyl ether with the reaction time of 1 hour. The yield is about 87%.

Uses of Acetic acid, 2-chloro-, cyclohexyl ester: it can be used to produce cyclohexyl azidoacetate at the ambient temperature. It will need reagent NaN₃ and solvent dimethylformamide. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1)CCl
(2)InChI: InChI=1S/C8H13ClO2/c9-6-8(10)11-7-4-2-1-3-5-7/h7H,1-6H2
(3)InChIKey: IBFHBLOKQVCABG-UHFFFAOYSA-N