Propanoic acid,3-bromo-2-(bromomethyl)-, ethyl ester (58539-11-0)

The Ethyl 3-bromo-2-(bromomethyl)propionate is an organic compound with the formula C₆H₁₀Br₂O₂. The IUPAC name of this chemical is ethyl 3-bromo-2-(bromomethyl)propanoate. With the CAS registry number 58539-11-0, it is also named as Propanoic acid, 3-bromo-2-(bromomethyl)-, ethyl ester. The product's categories are C6 to C7; Carbonyl Compounds; Esters.

Physical properties about Ethyl 3-bromo-2-(bromomethyl)propionate are: (1)ACD/LogP: 2.96 ; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 26.3 Å²; (5)Index of Refraction: 1.508; (6)Molar Refractivity: 47.04 cm³; (7)Molar Volume: 157.7 cm³; (8)Polarizability: 18.64×10^-24cm³; (9)Surface Tension: 40.1 dyne/cm; (10)Density: 1.736 g/cm³; (11)Flash Point: 92.6 °C; (12)Enthalpy of Vaporization: 46.62 kJ/mol; (13)Boiling Point: 229.6 °C at 760 mmHg; (14)Vapour Pressure: 0.069 mmHg at 25°C.

Uses of Ethyl 3-bromo-2-(bromomethyl)propionate: it can be used to produce 2-p-tolyloxymethyl-acrylic acid ethyl ester at ambient temperature. It will need reagent NaOH and solvent ethanol with reaction time of 6 hours. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(C(=O)OCC)CBr
(2)InChI: InChI=1/C6H10Br2O2/c1-2-10-6(9)5(3-7)4-8/h5H,2-4H2,1H3
(3)InChIKey: GKSCTYSHDIGNGC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H10Br2O2/c1-2-10-6(9)5(3-7)4-8/h5H,2-4H2,1H3
(5)Std. InChIKey: GKSCTYSHDIGNGC-UHFFFAOYSA-N