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Name |
Benzenepropanoic acid, a,b-dibromo-, ethyl ester |
EINECS | N/A |
CAS No. | 5464-70-0 | Density | 1.657 g/cm3 |
PSA | 26.30000 | LogP | 3.44920 |
Solubility | N/A | Melting Point |
77-79 °C |
Formula | C11H12Br2O2 | Boiling Point | 317.3 °C at 760 mmHg |
Molecular Weight | 336.023 | Flash Point | 145.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | R34; R37 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Hydrocinnamicacid, a,b-dibromo-, ethyl ester (6CI,7CI,8CI);Ethyl2,3-dibromo-3-phenylpropionate;Ethyl a,b-dibromo-b-phenylpropionate;Ethyl a,b-dibromodihydrocinnamate;NSC 15440;NSC 68516;Zebromal; |
Article Data | 33 |
The Benzenepropanoic acid, a,b-dibromo-, ethyl ester, with the CAS registry number 5464-70-0, is also known as Ethyl 2,3-dibromo-3-phenylpropanoate. This chemical's molecular formula is C11H12Br2O2 and molecular weight is 335.918358. Its IUPAC name is called ethyl 2,3-dibromo-3-phenylpropanoate.
Physical properties of Benzenepropanoic acid, a,b-dibromo-, ethyl ester: (1)ACD/LogP: 4.47; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 5; (4)Index of Refraction: 1.574; (5)Molar Refractivity: 66.9 cm3; (6)Molar Volume: 202.7 cm3; (7)Surface Tension: 46 dyne/cm; (8)Density: 1.657 g/cm3; (9)Flash Point: 145.7 °C; (10)Enthalpy of Vaporization: 55.87 kJ/mol; (11)Boiling Point: 317.3 °C at 760 mmHg; (12)Vapour Pressure: 0.000388 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C(C1=CC=CC=C1)Br)Br
(2)InChI: InChI=1S/C11H12Br2O2/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
(3)InChIKey: CCYOCUPSKJUNMD-UHFFFAOYSA-N