Cyclopentyl chloroformate

The Cyclopentyl chloroformate, with the CAS registry number 50715-28-1, is also known as Carbonochloridic acid, cyclopentyl ester. It belongs to the product categories of Chloroformates; Ring Systems. Its EINECS registry number is 411-460-0. This chemical's molecular formula is C₆H₉ClO₂ and molecular weight is 148.59. What's more, both its IUPAC name and systematic name are the same which is called Cyclopentyl carbonochloridate.

Physical properties about Cyclopentyl chloroformate are: (1)ACD/LogP: 1.811; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.01; (6)ACD/BCF (pH 7.4): 14.01; (7)ACD/KOC (pH 5.5): 230.29; (8)ACD/KOC (pH 7.4): 230.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 34.448 cm³; (15)Molar Volume: 124.851 cm³; (16)Polarizability: 13.656×10^-24cm³; (17)Surface Tension: 34.731 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 66.742 °C; (20)Enthalpy of Vaporization: 40.968 kJ/mol; (21)Boiling Point: 173.32 °C at 760 mmHg; (22)Vapour Pressure: 1.274 mmHg at 25 °C.

Preparation of Cyclopentyl chloroformate: this chemical can be prepared by carbonyl dichloride with cyclopentanol. This reaction needs reagent quinoline and solvents toluene, diethyl ether at temperature of 0 °C. The yield is 82 %.

Uses of Cyclopentyl chloroformate: it is used to produce other chemicals. For example, it can react with indol-6-ylamine to get (1H-indol-6-yl)-carbamic acid cyclopentyl ester. The reaction occurs with reagent Et₃N and solvent CH₂Cl₂ at temperature of 0-20 °C. The reaction time is 2 hours. The yield is 49 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and cause damage to health at low levels. It is flammable, harmful if swallowed and toxic by inhalation. This chemical has serious damage to eyes and may cause sensitisation by skin contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)OC1CCCC1
(2) InChI: InChI=1S/C6H9ClO2/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2
(3) InChIKey: ZFQCRLNKHHXELH-UHFFFAOYSA-N