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| CAS No.: | 1619-58-5 |
|---|---|
| Name: | ETHYL 2-CYANOBUTANOATE |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C7H11NO2 |
| Molecular Weight: | 141.17 |
| Synonyms: | Ethyl 2-cyanobutyrate;Ethyl a-cyanobutyrate;Ethyl2-cyanobutanoate;Butyric acid, a-cyano-, Et ester (4CI);Butyricacid, 2-cyano-, ethyl ester (7CI,8CI);NSC 1101; |
| Density: | 0.998 g/cm3 |
| Melting Point: | 220-223 °C |
| Boiling Point: | 201.7 °C at 760 mmHg |
| Flash Point: | 82.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 50.09000 |
| LogP: | 1.09928 |
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Specification
The Butanoic acid,2-cyano-, ethyl ester is an organic compound with the formula C7H11NO2. The IUPAC name of this chemical is Ethyl 2-cyanobutanoate. With the CAS registry number 1619-58-5, it is also named as 2-Cyanobutyric acid ethyl ester. Besides, its molecular weight is 141.17.
Physical properties about Butanoic acid,2-cyano-, ethyl ester are: (1)ACD/LogP: 0.94; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 50.09 Å2; (5)Index of Refraction: 1.424; (6)Molar Refractivity: 36.12 cm3; (7)Molar Volume: 141.3 cm3; (8)Polarizability: 14.32×10-24 cm3; (9)Surface Tension: 33.9 dyne/cm; (10)Density: 0.998 g/cm3; (11)Flash Point: 82.9 °C; (12)Enthalpy of Vaporization: 43.79 kJ/mol; (13)Boiling Point: 201.7 °C at 760 mmHg; (14)Vapour Pressure: 0.304 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H11NO2/c1-3-6(5-8)7(9)10-4-2/h6H,3-4H2,1-2H3
(2)InChIKey: FCISHUHNFYJJDU-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C7H11NO2/c1-3-6(5-8)7(9)10-4-2/h6H,3-4H2,1-2H3
(4)Std. InChIKey: FCISHUHNFYJJDU-UHFFFAOYSA-N