Ethyl 4-cyanocinnamate supplier

Name
Ethyl 4-cyanocinnamate
EINECS
CAS No. 62174-99-6
Article Data55
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point 70 °C
Formula C₁₂H₁₁NO₂
Boiling Point 352 °C at 760 mmHg
Molecular Weight 201.225
Flash Point 168 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 3-(4-cyanophenyl)prop-2-enoate;
PSA 50.09000
LogP 2.13458

Ethyl 4-cyanocinnamate Specification

The Ethyl 4-cyanocinnamate, with the CAS registry number 62174-99-6, is also known as 2-Propenoic acid, 3-(4-cyanophenyl)-, ethyl ester. This chemical's molecular formula is C₁₂H₁₁NO₂ and molecular weight is 201.22124. What's more, its systematic name is Ethyl 3-(4-cyanophenyl)prop-2-enoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant and light.

Physical properties about Ethyl 4-cyanocinnamate are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 50.09 Å²; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 56.23 cm³; (9)Molar Volume: 178.7 cm³; (10)Polarizability: 22.29×10^-24 cm³; (11)Surface Tension: 45.6 dyne/cm; (12)Density: 1.12 g/cm³; (13)Flash Point: 168 °C; (14)Enthalpy of Vaporization: 59.67 kJ/mol; (15)Boiling Point: 352 °C at 760 mmHg; (16)Vapour Pressure: 3.96E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(C=CC(=O)OCC)cc1
(2) InChI: InChI=1/C12H11NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2H2,1H3
(3) InChIKey: NVLBOCIUMFYPGI-UHFFFAOYAX

Product Name

Ethyl 4-cyanocinnamate

Ethyl 4-cyanocinnamate Specification

Related Products

Hot Products