DIETHYL DIBROMOMALONATE

The Propanedioic acid,2,2-dibromo-, 1,3-diethyl ester, with the CAS registry number 631-22-1, is also known as Ethyl dibromomalonate. It belongs to the product categories of C6 to C7; Carbonyl Compounds; Esters. Its EINECS registry number is 211-151-9. This chemical's molecular formula is C₇H₁₀Br₂O₄ and molecular weight is 317.96. Its IUPAC name is called diethyl 2,2-dibromopropanedioate.

Physical properties of Propanedioic acid,2,2-dibromo-, 1,3-diethyl ester: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 450.5; (6)ACD/BCF (pH 7.4): 450.5; (7)ACD/KOC (pH 5.5): 2761.31; (8)ACD/KOC (pH 7.4): 2761.31; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 53.45 cm³; (14)Molar Volume: 177.4 cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.791 g/cm³; (17)Flash Point: 111 °C; (18)Enthalpy of Vaporization: 49.76 kJ/mol; (19)Boiling Point: 259.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0126 mmHg at 25°C.

Uses of Propanedioic acid,2,2-dibromo-, 1,3-diethyl ester: it can be used to produce ethenetetracarboxylic acid tetraethyl ester. This reaction will need reagent sodium, benzene.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns. When using it, please do not eat or drink. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C(=O)OCC)(Br)Br
(2)InChI: InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
(3)InChIKey: PFZYFZRUPFUEOB-UHFFFAOYSA-N