ETHYL DIBROMOACETATE

The Acetic acid, 2,2-dibromo-, ethyl ester, with the CAS registry number 617-33-4, is also known as Ethyl 2,2-dibromoacetate. This chemical's molecular formula is C₄H₆Br₂O₂ and molecular weight is 245.9. What's more, its systematic name is ethyl dibromoacetate. It should be sealed and stored in a cool and dry place. It is used in organic synthesis. 

Physical properties of Acetic acid, 2,2-dibromo-, ethyl ester are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 470.39; (8)ACD/KOC (pH 7.4): 470.39; (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: 1.517; (14)Molar Refractivity: 37.77 cm³; (15)Molar Volume: 124.7 cm³; (16)Polarizability: 14.97×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.97 g/cm³; (19)Flash Point: 69.5 °C; (20)Enthalpy of Vaporization: 42.75 kJ/mol; (21)Boiling Point: 191.3 °C at 760 mmHg; (22)Vapour Pressure: 0.519 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl acetate and bromine at the present of red phosphorus.

Uses of Acetic acid, 2,2-dibromo-, ethyl ester: it can be used to produce diphenoxy-acetic acid ethyl ester. It will need reagent potassium hydride and solvent dimethylsulfoxide with the reaction time of 2 hours. The yield is about 52%.

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 and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(Br)Br
(2)InChI: InChI=1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
(3)InChIKey: NIJGVVHCUXNSLL-UHFFFAOYSA-N