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| | ETHYL 2-CYANOACETOACETATE Basic information |
| Product Name: | ETHYL 2-CYANOACETOACETATE | | Synonyms: | ETHYL A-CYANOACETOACETATE;ETHYL ALPHA-CYANOACETOACETATE;ETHYL 2-ACETYLCYANOACETATE;ETHYL 2-CYANOACETOACETATE;TIMTEC-BB SBB007825;Ethyl 2-Cyanoacetoacetate, Pract.;BUTANOIC ACID, 2-CYANO-3-OXO ETHYL ESTER;Ethyl Isocyanoacetoacetate | | CAS: | 634-55-9 | | MF: | C7H9NO3 | | MW: | 155.15 | | EINECS: | 700-172-3 | | Product Categories: | | | Mol File: | 634-55-9.mol |  |
| | ETHYL 2-CYANOACETOACETATE Chemical Properties |
| Boiling point | 105-107°C 15mm | | density | 1.120±0.06 g/cm3(Predicted) | | vapor pressure | 14.665Pa at 25℃ | | storage temp. | Store at room temperature | | pka | 4.58±0.46(Predicted) | | form | Liquid | | Appearance | White to off-white Solid | | Water Solubility | Not miscible or difficult to mix in water. | | InChI | 1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3 | | InChIKey | NWOKVFOTWMZMHL-UHFFFAOYSA-N | | SMILES | CCOC(=O)C(C#N)C(C)=O | | LogP | 0.95 at 21.5℃ and pH3.5-3.74 | | Surface tension | 66.9mN/m at 1g/L and 20℃ | | CAS DataBase Reference | 634-55-9 |
| Risk Statements | 20/21/22-41 | | Safety Statements | 26-36/37/39-39 | | RIDADR | 3276 | | WGK Germany | WGK 3 | | HazardClass | 6.1 | | PackingGroup | III | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1 |
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ALFA
| English |
| | ETHYL 2-CYANOACETOACETATE Usage And Synthesis |
| Uses | It is used as a pharmaceutical intermediate. It is also used in the synthesis of fluorine-containing alkyl 2-cyano-3-oxocarboxylates and also in the syntheses of pyrazolo [1, 2-a] pyrazole and pyrazolo [5, 1-b] [1, 3] oxazine derivatives. | | Definition | ChEBI: Ethyl 2-cyanoacetoacetate is an alpha-substituted cyanoacetate ester and an ethyl ester. | | Synthesis Reference(s) | Journal of Heterocyclic Chemistry, 28, p. 453, 1991 DOI: 10.1002/jhet.5570280247 |
| | ETHYL 2-CYANOACETOACETATE Preparation Products And Raw materials |
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