| Identification | Back Directory | [Name]
ETHYL 2-CYANOACETOACETATE | [CAS]
634-55-9 | [Synonyms]
FR-0406
SBB007825
TIMTEC-BB SBB007825
ETHYL A-CYANOACETOACETATE
ETHYL 2-CYANOACETOACETATE
ETHYL 2-ACETYLCYANOACETATE
Ethyl Isocyanoacetoacetate
2-Cyano ethyl 3-oxobutanoate
Ethyl 2-cyano-3-oxobutanoate
ETHYL ALPHA-CYANOACETOACETATE
Ethyl 2-Cyanoacetoacetate, Pract.
2-cyano-3-oxobutanoic acid ethyl ester
2-cyano-3-keto-butyric acid ethyl ester
BUTANOIC ACID, 2-CYANO-3-OXO ETHYL ESTER
(2S)-2-cyano-3-oxobutanoic acid ethyl ester | [EINECS(EC#)]
700-172-3 | [Molecular Formula]
C7H9NO3 | [MDL Number]
MFCD00043487 | [MOL File]
634-55-9.mol | [Molecular Weight]
155.15 |
| Chemical Properties | Back Directory | [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 | [form ]
Liquid | [pka]
4.58±0.46(Predicted) | [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 |
| Safety Data | Back Directory | [Risk Statements ]
20/21/22-41 | [Safety Statements ]
26-36/37/39-39 | [RIDADR ]
3276 | [WGK Germany ]
WGK 3 | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1 |
| Hazard Information | Back Directory | [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 |
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