Home >> Chemicals Listing >> hot product list by B  

Benzenepropanoic acid, a-bromo-b-oxo-, ethyl ester (55919-47-6)

Identification
Name:Benzenepropanoic acid, a-bromo-b-oxo-, ethyl ester
Synonyms:Aceticacid, benzoylbromo-, ethyl ester (6CI);Ethyl 2-benzoyl-2-bromoacetate;Ethyl2-bromo-3-oxo-3-phenylpropanoate;Ethyl a-bromobenzoylacetate;NSC 41689;
CAS:55919-47-6
Molecular Formula: C11H11BrO3
Molecular Weight: 271.11
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
Molecular Structure: (C11H11BrO3) Aceticacid, benzoylbromo-, ethyl ester (6CI);Ethyl 2-benzoyl-2-bromoacetate;Ethyl2-bromo-3-oxo-3-phe...
Properties
Density:1.445 g/cm3
Refractive index:1.548
Specification:

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

Safety Data
 

Other Product