Benzenepropanoic acid, a,b-dibromo-, ethyl ester supplier

Name
ETHYL 2,3-DIBROMO-3-PHENYLPROPIONATE
EINECS
CAS No. 5464-70-0
Article Data33
CAS DataBase
Density 1.657 g/cm³
Solubility
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
Appearance
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;
PSA 26.30000
LogP 3.44920

Benzenepropanoic acid, a,b-dibromo-, ethyl ester Specification

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

Product Name

ETHYL 2,3-DIBROMO-3-PHENYLPROPIONATE

Benzenepropanoic acid, a,b-dibromo-, ethyl ester Specification

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