Methyl 4-bromo-3-oxopentanoate supplier

Name
Methyl 4-bromo-3-oxopentanoate
EINECS
CAS No. 105983-77-5
Article Data12
CAS DataBase
Density 1.475 g/cm³
Solubility
Melting Point
Formula C₆H₉BrO₃
Boiling Point 224.12 °C at 760 mmHg
Molecular Weight 209.04
Flash Point 89.345 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentanoic acid, 4-bromo-3-oxo-, methyl ester;
PSA 43.37000
LogP 0.90200

Methyl 4-bromo-3-oxopentanoate Specification

The Methyl 4-bromo-3-oxopentanoate, with the CAS registry number 105983-77-5, is also known as Pentanoic acid, 4-bromo-3-oxo-, methyl ester. This chemical's molecular formula is C₆H₉BrO₃ and molecular weight is 209.04.

Physical properties of Methyl 4-bromo-3-oxopentanoate are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 176; (8)ACD/KOC (pH 7.4): 175; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 39.341 cm³; (15)Molar Volume: 141.736 cm³; (16)Polarizability: 15.596×10^-24 cm³; (17)Surface Tension: 37.26 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 89.345 °C; (20)Enthalpy of Vaporization: 46.061 kJ/mol; (21)Boiling Point: 224.12 °C at 760 mmHg; (22)Vapour Pressure: 0.093 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(Br)C)CC(=O)OC
(2)InChI: InChI=1/C6H9BrO3/c1-4(7)5(8)3-6(9)10-2/h4H,3H2,1-2H3
(3)InChIKey: HCBQTGAZENNMLM-UHFFFAOYAI

Product Name

Methyl 4-bromo-3-oxopentanoate

Methyl 4-bromo-3-oxopentanoate Specification

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