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Name |
Ethyl 4-cyanocinnamate |
EINECS | N/A |
CAS No. | 62174-99-6 | Density | 1.12 g/cm3 |
PSA | 50.09000 | LogP | 2.13458 |
Solubility | N/A | Melting Point |
70 °C |
Formula | C12H11NO2 | Boiling Point | 352 °C at 760 mmHg |
Molecular Weight | 201.225 | Flash Point | 168 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 3-(4-cyanophenyl)prop-2-enoate; |
Article Data | 55 |
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