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6937-28-6

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Basic Information
CAS No.: 6937-28-6
Name: ethylalpha-bromodiethylacetate
Article Data: 2
Molecular Structure:
Molecular Structure of 6937-28-6 (ethylalpha-bromodiethylacetate)
Formula: C8H15BrO2
Molecular Weight: 223.11
Synonyms: Ethylalpha-bromodiethylacetate;Ethyl 2-bromo-2-ethylbutanoate;
Density: 1.258 g/cm3
Boiling Point: 198.7 °C at 760 mmHg
Flash Point: 82.4 °C
PSA: 26.30000
LogP: 2.50320
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Specification

The Butanoic acid,2-bromo-2-ethyl-,ethyl ester, with the CAS registry number of 6937-28-6, is also known as Ethylalpha-bromodiethylacetate. The molecular formula of this chemical is C8H15BrO2 and its molecular weight is 223.1075. What's more, its IUPAC name is Ethyl 2-bromo-2-ethylbutanoate.

Physical properties about Butanoic acid,2-bromo-2-ethyl-,ethyl ester are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.46; (8)Molar Refractivity: 48.58 cm3; (9)Molar Volume: 177.3 cm3; (10)Polarizability: 19.26×10-24 cm3; (11)Surface Tension: 32.2 dyne/cm; (12)Density: 1.258 g/cm3; (13)Flash Point: 82.4 °C; (14)Enthalpy of Vaporization: 43.49 kJ/mol; (15)Boiling Point: 198.7 °C at 760 mmHg; (16)Vapour Pressure: 0.355 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC(C(=O)OCC)(CC)CC
(2) InChI: InChI=1/C8H15BrO2/c1-4-8(9,5-2)7(10)11-6-3/h4-6H2,1-3H3
(3) InChIKey: YIFZOOLBLJRSBG-UHFFFAOYAH