30365-54-9

The CAS registry number of Propanoic acid, 2-bromo-, ethyl ester, (2S)- is 30365-54-9. This chemical is also named as 2-Bromobutyric acid methyl ester. In addition, its molecular formula is C₅H₉BrO₂ and molecular weight is 181.0278. Its systematic name is called methyl 2-bromobutanoate.

Physical properties about Propanoic acid, 2-bromo-, ethyl ester, (2S)- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.88; (6)ACD/BCF (pH 7.4): 11.88; (7)ACD/KOC (pH 5.5): 204.66; (8)ACD/KOC (pH 7.4): 204.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 34.67 cm³; (14)Molar Volume: 128.1 cm³; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 1.413 g/cm³; (17)Flash Point: 58.4 °C; (18)Enthalpy of Vaporization: 40.74 kJ/mol; (19)Boiling Point: 171 °C at 760 mmHg; (20)Vapour Pressure: 1.43 mmHg at 25°C.

Uses of Propanoic acid, 2-bromo-, ethyl ester, (2S)-: it can be used to produce 2,2'-p-phenylenedioxy-di-propionic acid diethyl ester by heating. It will need reagent K₂CO₃ and solvent acetonitrile with reaction time of 14 hours. The yield is about 82 %.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)OC)CC
(2)InChI: InChI=1/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
(3)InChIKey: UFQQDNMQADCHGH-UHFFFAOYAF