2-ACETOXY-3,3-DICHLOROTETRAHYDROFURAN

The 2-Furanol,3,3-dichlorotetrahydro-, 2-acetate, with the CAS registry number 141942-52-1, is also known as 3,3-Dichlorooxolan-2-yl acetate. It belongs to the product category of Furan & Benzofuran. This chemical's molecular formula is C₆H₈Cl₂O₃ and molecular weight is 199.0319. Its systematic name is called 3,3-dichlorotetrahydrofuran-2-yl acetate.

Physical properties of 2-Furanol,3,3-dichlorotetrahydro-, 2-acetate: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.13; (8)ACD/KOC (pH 7.4): 29.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 41.03 cm³; (14)Molar Volume: 143.3 cm³; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1.38 g/cm³; (17)Flash Point: 116.1 °C; (18)Enthalpy of Vaporization: 50.12 kJ/mol; (19)Boiling Point: 263.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0103 mmHg at 25°C.

Preparation of 2-Furanol,3,3-dichlorotetrahydro-, 2-acetate: this chemical can be prepared by 2,3,3-trichloro-tetrahydro-furan and acetic acid. This reaction will need reagents NaOAc and Ac₂O.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In addition, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC1(Cl)CCOC1OC(=O)C
(2)InChI: InChI=1/C6H8Cl2O3/c1-4(9)11-5-6(7,8)2-3-10-5/h5H,2-3H2,1H3
(3)InChIKey: PBTLBQDECKKPKR-UHFFFAOYAN