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54221-37-3

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Basic Information
CAS No.: 54221-37-3
Name: Diethyl meso-2,5-dibromoadipate
Article Data: 7
Molecular Structure:
Molecular Structure of 54221-37-3 (Diethyl meso-2,5-dibromoadipate)
Formula: C10H16Br2O4
Molecular Weight: 360.043
Synonyms: diethyl (2R,5S)-2,5-dibromohexanedioate;
Density: 1.581 g/cm3
Melting Point: 65-66 °C
Boiling Point: 338.6 °C at 760 mmHg
Flash Point: 158.6 °C
PSA: 52.60000
LogP: 2.41980
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Specification

The CAS registry number of Diethyl 2,5-dibromohexanedioate is 54221-37-3. This chemical is also named as NSC49144. In addition, its molecular formula is C10H16Br2O4 and molecular weight is 360.0396. Its systematic name and IUPAC name are the same which is called diethyl 2,5-dibromohexanedioate.

Physical properties about Diethyl 2,5-dibromohexanedioate are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Index of Refraction: 1.503; (7)Molar Refractivity: 67.3 cm3; (8)Molar Volume: 227.6 cm3; (9)Surface Tension: 41.6 dyne/cm; (10)Density: 1.581 g/cm3; (11)Flash Point: 158.6 °C; (12)Enthalpy of Vaporization: 58.2 kJ/mol; (13)Boiling Point: 338.6 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)OCC)CCC(Br)C(=O)OCC
(2)InChI: InChI=1/C1016Br2O4/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h7-8H,3-6H2,1-2H3
(3)InChIKey: UBCNJHBDCUBIPB-UHFFFAOYAW