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Cas Database |
| Name |
Ethyl (4-cyanophenyl)acetate |
EINECS | N/A |
| CAS No. | 1528-41-2 | Density | 1.11 g/cm3 |
| PSA | 50.09000 | LogP | 1.66388 |
| Solubility | N/A | Melting Point |
90-94 °C |
| Formula | C11H11NO2 | Boiling Point | 304.7 °C at 760 mmHg |
| Molecular Weight | 189.214 | Flash Point | 141.2 °C |
| Transport Information | UN3439 | Appearance | white powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, (p-cyanophenyl)-, ethyl ester (7CI,8CI);(4-Cyanophenyl)acetic acid ethylester;4-Cyanobenzeneacetic acid ethyl ester;Ethyl (4-cyanophenyl)acetate;NSC130982;a-(Ethoxycarbonyl)-p-toluonitrile; |
Article Data | 22 |
Ethyl (4-cyanophenyl)acetate Specification
The Benzeneacetic acid,4-cyano-, ethyl ester, with the CAS registry number 1528-41-2, is also known as 4-Cyanophenylacetic acid ethyl ester. This chemical's molecular formula is C11H11NO2 and molecular weight is 189.2105. Its systematic name is called ethyl (4-cyanophenyl)acetate. You should keep container tightly closed in a cool, dry and well-ventilated place.
Physical properties of Benzeneacetic acid,4-cyano-, ethyl ester: (1)ACD/LogP: 1.93; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.523; (5)Molar Refractivity: 51.69 cm3; (6)Molar Volume: 169 cm3; (7)Surface Tension: 44.6 dyne/cm; (8)Density: 1.11 g/cm3; (9)Flash Point: 141.2 °C; (10)Enthalpy of Vaporization: 54.51 kJ/mol; (11)Boiling Point: 304.7 °C at 760 mmHg; (12)Vapour Pressure: 0.000858 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1ccc(C#N)cc1
(2)InChI: InChI=1/C11H11NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6H,2,7H2,1H3
(3)InChIKey: DFEWKWBIPMKGFG-UHFFFAOYAS
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