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Ethyl 3-bromo-2-(bromomethyl)propionate

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Name

Ethyl 3-bromo-2-(bromomethyl)propionate

EINECS N/A
CAS No. 58539-11-0 Density 1.736 g/cm3
PSA 26.30000 LogP 1.95550
Solubility N/A Melting Point N/A
Formula C6H10Br2O2 Boiling Point 229.6 °C at 760 mmHg
Molecular Weight 273.952 Flash Point 92.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 58539-11-0 (Ethyl 3-bromo-2-(bromomethyl)propionate) Hazard Symbols IrritantXi
Synonyms

3-Bromo-2-bromomethylpropionicacid ethyl ester;Ethyl 3-bromo-2-(bromomethyl)propionate;NSC 215249;

Article Data 8

Ethyl 3-bromo-2-(bromomethyl)propionate Specification

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

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