Butanoic acid, 2-bromo-3-oxo-, ethyl ester supplier

Name
2-Bromo-3-oxobutyric acid ethyl ester
EINECS
CAS No. 609-13-2
Article Data4
CAS DataBase
Density 1.478 g/cm³
Solubility
Melting Point
Formula C₆H₉BrO₃
Boiling Point 231.6 °C at 760 mmHg
Molecular Weight 209.04
Flash Point 93.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-bromo-3-oxobutanoate;Butanoic acid, 4-bromo-3-oxo-, ethyl ester;4-Bromo-3-oxobutanoic acid ethyl ester;Ethyl 4-bromoacetoacetate;
PSA 43.37000
LogP 0.90200

Butanoic acid, 2-bromo-3-oxo-, ethyl ester Specification

The Butanoic acid, 2-bromo-3-oxo-, ethyl ester with CAS registry number of 609-13-2 is also known as 4-Bromo-3-oxobutanoic acid ethyl ester. The systematic name is Ethyl 4-bromo-3-oxobutanoate. In addition, the formula is C₆H₉BrO₃ and the molecular weight is 209.04.

Physical properties about Butanoic acid, 2-bromo-3-oxo-, ethyl ester are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.29; (6)ACD/BCF (pH 7.4): 13.2; (7)ACD/KOC (pH 5.5): 221.78; (8)ACD/KOC (pH 7.4): 220.26; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.469; (13)Molar Refractivity: 39.38 cm³; (14)Molar Volume: 141.3 cm³; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.478 g/cm³; (17)Flash Point: 93.9 °C; (18)Enthalpy of Vaporization: 46.83 kJ/mol; (19)Boiling Point: 231.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0616 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(CBr)CC(=O)OCC
2. InChI: InChI=1/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
3. InChIKey: MGDWUTQKXCZNAJ-UHFFFAOYAB

Product Name

2-Bromo-3-oxobutyric acid ethyl ester

Butanoic acid, 2-bromo-3-oxo-, ethyl ester Specification

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