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Butanedioic acid,2-cyano-, 1,4-diethyl ester

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Name

Butanedioic acid,2-cyano-, 1,4-diethyl ester

EINECS
CAS No. 10359-15-6 Density 1.12 g/cm3
Solubility Melting Point
Formula C9H13NO4 Boiling Point 316 °C at 760 mmHg
Molecular Weight 199.2038 Flash Point 137.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 10359-15-6 (Butanedioic acid,2-cyano-, 1,4-diethyl ester) Hazard Symbols
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;

 

Butanedioic acid,2-cyano-, 1,4-diethyl ester 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 %.

Butanedioic acid,2-cyano-, 1,4-diethyl ester can be prepared by Chloroacetic acid ethyl ester and Cyanoacetic acid ethyl ester

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 %.

Butanedioic acid,2-cyano-, 1,4-diethyl ester is used to produce 3-Cyano-propionic acid ethyl ester

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

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