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| CAS No.: | 10359-15-6 |
|---|---|
| Name: | 2-CYANO-SUCCINIC ACID DIETHYL ESTER |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C9H13NO4 |
| Molecular Weight: | 199.207 |
| Synonyms: | Butanedioicacid, cyano-, diethyl ester (9CI);Succinic acid, cyano-, diethyl ester(7CI,8CI);Diethyl 2-cyanobutanedioate;Diethyl 2-cyanosuccinate;Diethylcyanosuccinate;Diethyl a-cyanosuccinate;NSC 79189;a-Cyanosuccinic acid diethyl ester; |
| Density: | 1.12 g/cm3 |
| Boiling Point: | 316 °C at 760 mmHg |
| Flash Point: | 137.3 °C |
| PSA: | 76.39000 |
| LogP: | -0.13772 |
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Specification
The Butanedioic acid,2-cyano-, 1,4-diethyl ester, with the CAS registry number 10359-15-6, is also known as Butanedioic acid, 2-cyano-, diethyl ester. It belongs to the product categories of Nitro / Nitriles; Miscellaneous. This chemical's molecular formula is C9H13NO4 and molecular weight is 199.2. What's more, its systematic name is Diethyl 2-cyanobutanedioate.
Physical properties about Butanedioic acid,2-cyano-, 1,4-diethyl ester are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 76.39 Å2; (7)Index of Refraction: 1.443; (8)Molar Refractivity: 47.16 cm3; (9)Molar Volume: 177.8 cm3; (10)Polarizability: 18.69×10-24 cm3; (11)Surface Tension: 39.3 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 137.3 °C; (14)Enthalpy of Vaporization: 55.72 kJ/mol; (15)Boiling Point: 316 °C at 760 mmHg; (16)Vapour Pressure: 0.000423 mmHg at 25 °C.
Preparation of Butanedioic acid,2-cyano-, 1,4-diethyl ester: this chemical can be prepared by Chloroacetic acid ethyl ester and Cyanoacetic acid ethyl ester. This reaction needs reagent NaOEt. The yield is 84 %.
Use of Butanedioic acid,2-cyano-, 1,4-diethyl ester: it is used to produce other chemicals. For example, it is used to produce 3-Cyano-propionic acid ethyl ester. The reaction occurs with reagent KCl and other condition of heating for 2.5 hours. The yield is 76 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC(C#N)C(=O)OCC
(2) InChI: InChI=1/C9H13NO4/c1-3-13-8(11)5-7(6-10)9(12)14-4-2/h7H,3-5H2,1-2H3
(3) InChIKey: BYBZRPDCTRBPTM-UHFFFAOYAQ