Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-bromo-3-oxo-3-phenylpropanoate |
EINECS | N/A |
CAS No. | 55919-47-6 | Density | 1.445 g/cm3 |
PSA | 43.37000 | LogP | 2.19590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H11BrO3 | Boiling Point | 300.4 °C at 760 mmHg |
Molecular Weight | 271.111 | Flash Point | 135.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Aceticacid, benzoylbromo-, ethyl ester (6CI);Ethyl 2-benzoyl-2-bromoacetate;Ethyl2-bromo-3-oxo-3-phenylpropanoate;Ethyl a-bromobenzoylacetate;NSC 41689; |
Article Data | 57 |
The Ethyl 2-bromo-3-oxo-3-phenylpropanoate is an organic compound with the formula C11H11BrO3. The IUPAC name of this chemical is ethyl 2-bromo-3-oxo-3-phenylpropanoate. With the CAS registry number 55919-47-6, it is also named as Benzenepropanoic acid, α-bromo-β-oxo-, ethyl ester.
Physical properties about Ethyl 2-bromo-3-oxo-3-phenylpropanoate are: (1)ACD/LogP: 3.01 ; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 43.37 Å2; (5)Index of Refraction: 1.548; (6)Molar Refractivity: 59.64 cm3; (7)Molar Volume: 187.5 cm3; (8)Polarizability: 23.64×10-24cm3; (9)Surface Tension: 45.1 dyne/cm; (10)Density: 1.445 g/cm3; (11)Flash Point: 135.5 °C; (12)Enthalpy of Vaporization: 54.05 kJ/mol; (13)Boiling Point: 300.4 °C at 760 mmHg; (14)Vapour Pressure: 0.00112 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(Br)C(=O)OCC
(2)InChI: InChI=1/C11H11BrO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
(3)InChIKey: LYOCLQBWSNCBBN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H11BrO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
(5)Std. InChIKey: LYOCLQBWSNCBBN-UHFFFAOYSA-N