Butanoic acid,2-bromo-2-ethyl-,ethyl ester supplier

Name
ethylalpha-bromodiethylacetate
EINECS
CAS No. 6937-28-6
Article Data2
CAS DataBase
Density 1.258 g/cm³
Solubility
Melting Point
Formula C₈H₁₅BrO₂
Boiling Point 198.7 °C at 760 mmHg
Molecular Weight 223.11
Flash Point 82.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethylalpha-bromodiethylacetate;Ethyl 2-bromo-2-ethylbutanoate;
PSA 26.30000
LogP 2.50320

Butanoic acid,2-bromo-2-ethyl-,ethyl ester 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

Product Name

ethylalpha-bromodiethylacetate

Butanoic acid,2-bromo-2-ethyl-,ethyl ester Specification

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