ETHYL CHLOROFLUOROACETATE

The CAS register number of Acetic acid,2-chloro-2-fluoro-, ethyl ester is 401-56-9. It also can be called as Acetic acid, chlorofluoro-, ethyl ester and the systematic name about this chemical is ethyl 2-chloro-2-fluoroacetate. The molecular formula about this chemical is C₄H₆ClFO₂ and the molecular weight is 140.54. It belongs to the following product categories which include Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C2 to C5; Carbonyl Compounds; Esters and so on.

Physical properties about Acetic acid,2-chloro-2-fluoro-, ethyl ester are: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3.4; (5)ACD/BCF (pH 7.4): 3.4; (6)ACD/KOC (pH 5.5): 83.63; (7)ACD/KOC (pH 7.4): 83.63; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Ų; (11)Index of Refraction: 1.39; (12)Molar Refractivity: 27.32 cm³; (13)Molar Volume: 115.2 cm³; (14)Polarizability: 10.83x10^-24cm³; (15)Surface Tension: 26.4 dyne/cm; (16)Enthalpy of Vaporization: 36.67 kJ/mol; (17)Boiling Point: 129 °C at 760 mmHg; (18)Vapour Pressure: 10.4 mmHg at 25°C.

Preparation: this chemical can be prepared by ethanol and chloro-fluoro-acetyl fluoride. The yield is about 47 %.

Uses of Acetic acid,2-chloro-2-fluoro-, ethyl ester: it can be used to produce chloro-fluoro-acetic acid at heating. This reaction will need reagent 1N aq. HCl. The yield is about 30%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H](F)C(=O)OCC
(2)InChI: InChI=1/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3/t3-/m1/s1
(3)InChIKey: WUHVJSONZHSDFC-GSVOUGTGBK
(4)Std. InChI: InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3/t3-/m1/s1
(5)Std. InChIKey: WUHVJSONZHSDFC-GSVOUGTGSA-N