2,2-DIMETHYLPROPYL CHLOROFORMATE

The Carbonochloridic acid,2,2-dimethylpropyl ester, with the CAS registry number 20412-38-8, is also known as Neopentyl chloroformate. This chemical's molecular formula is C₆H₁₁ClO₂ and molecular weight is 150.6. What's more, its systematic name is called 2,2-Dimethylpropyl chlorocarbonate.

Physical properties about Carbonochloridic acid,2,2-dimethylpropyl ester are: (1) ACD/LogP: 2.67; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.67; (4) ACD/LogD (pH 7.4): 2.67; (5) ACD/BCF (pH 5.5): 62.82; (6) ACD/BCF (pH 7.4): 62.82; (7) ACD/KOC (pH 5.5): 674.05; (8) ACD/KOC (pH 7.4): 674.05; (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: 1.425; (14) Molar Refractivity: 36.43 cm³; (15) Molar Volume: 142.4 cm³; (16) Surface Tension: 28.4 dyne/cm; (17) Density: 1.056 g/cm³; (18)Flash Point: 43.2 °C; (19) Enthalpy of Vaporization: 38.84 kJ/mol; (20) Boiling Point: 151.6 °C at 760 mmHg; (21) Vapour Pressure: 3.64 mmHg at 25 °C.

Preparation of Carbonochloridic acid,2,2-dimethylpropyl ester: this chemical can be prepared by 2,2-Dimethyl-propan-1-ol with Carbonyl dichloride. The reaction occurs with reagent Pentane at temperature of -20 °C.

Uses of Carbonochloridic acid,2,2-dimethylpropyl ester: it is used to produce other chemicals. For example, it is used to produce C₁₁H₂₁NO·HCl. This reaction will occur at temperature of 28 °C for 45 hours. The yield is 45 %.

When you are dealing with this chemical, you should be very careful. This chemical is flammable and at low levels may cause damage to health. It is toxic by inhalation and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you could keep away from sources of ignition. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. 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)OCC(C)(C)C
(2) InChI: InChI=1/C6H11ClO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3
(3) InChIKey: JUUBFHLPTCPVBO-UHFFFAOYAV