Ethyl 2-bromo-2-methylbutyrate supplier

Name
Butanoic acid, 2-bromo-2-methyl-, ethyl ester
EINECS
CAS No. 5398-71-0
Article Data9
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₇H₁₃BrO₂
Boiling Point 181.617 °C at 760 mmHg
Molecular Weight 209.083
Flash Point 70.938 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyric acid, 2-bromo-2-methyl-, ethyl ester (8CI);NSC 4543;Ethyl 2-bromo-2-methylbutanoate;Ethyl α-bromo-α-methylbutyrate;
PSA 26.30000
LogP 2.11310

Ethyl 2-bromo-2-methylbutyrate Specification

The Ethyl 2-bromo-2-methylbutyrate, with the CAS registry number 5398-71-0, is also known as Ethyl α-bromo-α-methylbutyrate. This chemical's molecular formula is C₇H₁₃BrO₂ and molecular weight is 209.08. What's more, its systematic name is Ethyl 2-bromo-2-methylbutanoate.

Physical properties of Ethyl 2-bromo-2-methylbutyrate are: (1)ACD/LogP: 2.513; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.83; (6)ACD/BCF (pH 7.4): 47.83; (7)ACD/KOC (pH 5.5): 554.55; (8)ACD/KOC (pH 7.4): 554.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 43.951 cm³; (15)Molar Volume: 160.795 cm³; (16)Polarizability: 17.424×10^-24cm³; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 70.938 °C; (20)Enthalpy of Vaporization: 41.787 kJ/mol; (21)Boiling Point: 181.617 °C at 760 mmHg; (22)Vapour Pressure: 0.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)OCC)(C)CC
(2)Std. InChI: InChI=1S/C7H13BrO2/c1-4-7(3,8)6(9)10-5-2/h4-5H2,1-3H3
(3)Std. InChIKey: ALHOFXQMBUWICK-UHFFFAOYSA-N

Product Name

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

Ethyl 2-bromo-2-methylbutyrate Specification

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