Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4-bromo-3-oxopentanoate |
EINECS | N/A |
CAS No. | 105983-77-5 | Density | 1.475 g/cm3 |
PSA | 43.37000 | LogP | 0.90200 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9BrO3 | Boiling Point | 224.12 °C at 760 mmHg |
Molecular Weight | 209.04 | Flash Point | 89.345 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pentanoic acid, 4-bromo-3-oxo-, methyl ester; |
Article Data | 12 |
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