Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Cyanomethyl)benzoic acid ethyl ester |
EINECS | N/A |
CAS No. | 83901-88-6 | Density | 1.113 g/cm3 |
PSA | 50.09000 | LogP | 1.92938 |
Solubility | N/A | Melting Point |
28 °C |
Formula | C11H11NO2 | Boiling Point | 325.971 °C at 760 mmHg |
Molecular Weight | 189.214 | Flash Point | 153.252 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ethyl 4-cyanomethylbenzoate; |
Article Data | 9 |
The 4-(Cyanomethyl)benzoic acid ethyl ester, with the CAS registry number 83901-88-6, has molecular formula is C11H11NO2 and molecular weight is 189.21. Its systematic name is called ethyl 4-(cyanomethyl)benzoate.
Physical properties of 4-(Cyanomethyl)benzoic acid ethyl ester: (1)ACD/LogP: 1.68; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 50.09 Å2; (6)Index of Refraction: 1.525; (7)Molar Refractivity: 52.122 cm3; (8)Molar Volume: 170.033 cm3; (9)Surface Tension: 43.55 dyne/cm; (10)Density: 1.113 g/cm3; (11)Flash Point: 153.252 °C; (12)Enthalpy of Vaporization: 56.814 kJ/mol; (13)Boiling Point: 325.971 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1ccc(cc1)C(=O)OCC
(2)InChI: InChI=1/C11H11NO2/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7H2,1H3
(3)InChIKey: IOZDJXZPSPNHRS-UHFFFAOYAL