Ethyl 5-bromo-2-(but-3-enyl)benzoate supplier

Name
Ethyl 5-bromo-2-(but-3-enyl)benzoate
EINECS
CAS No. 1131587-75-1
Density 1.282 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅BrO₂
Boiling Point 343.452 °C at 760 mmHg
Molecular Weight 283.161
Flash Point 161.514 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms TC-067021;
PSA 26.30000
LogP 3.74440

Ethyl 5-bromo-2-(but-3-enyl)benzoate Specification

The Ethyl 5-bromo-2-(but-3-enyl)benzoate, with the CAS registry number 1131587-75-1, is also known as TC-067021. This chemical's molecular formula is C₁₃H₁₅BrO₂ and molecular weight is 283.161. What's more, its IUPAC name is Ethyl 5-bromo-2-but-3-enylbenzoate.

Physical properties about Ethyl 5-bromo-2-(but-3-enyl)benzoate are: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.136; (4)ACD/LogD (pH 7.4): 4.136; (5)ACD/BCF (pH 5.5): 818.955; (6)ACD/BCF (pH 7.4): 818.955; (7)ACD/KOC (pH 5.5): 4235.577; (8)ACD/KOC (pH 7.4): 4235.577; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 68.889 cm³; (15)Molar Volume: 220.942 cm³; (16)Polarizability: 27.31×10^-24 cm³; (17)Surface Tension: 37.727 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 161.514 °C; (20)Enthalpy of Vaporization: 58.731 kJ/mol; (21)Boiling Point: 343.452 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc(ccc1CCC=C)Br
(2) InChI: InChI=1/C13H15BrO2/c1-3-5-6-10-7-8-11(14)9-12(10)13(15)16-4-2/h3,7-9H,1,4-6H2,2H3
(3) InChIKey: KTHQHNDCUFKMOZ-UHFFFAOYAG

Product Name

Ethyl 5-bromo-2-(but-3-enyl)benzoate

Ethyl 5-bromo-2-(but-3-enyl)benzoate Specification

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