CAS 116106-71-9
:1-Ethyl (2E)-2-chloro-2-butenedioate
Description:
1-Ethyl (2E)-2-chloro-2-butenedioate, with the CAS number 116106-71-9, is an organic compound characterized by its unique structure, which includes an ethyl group and a chloro-substituted butenedioate moiety. This compound features a double bond in the butenedioate part, indicating it has geometric isomerism, specifically in the E configuration. The presence of the chloro group introduces reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. It is typically a colorless to pale yellow liquid, exhibiting moderate volatility and solubility in organic solvents. The compound may have applications in organic synthesis, particularly in the preparation of more complex molecules or as an intermediate in the production of agrochemicals or pharmaceuticals. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 1-Ethyl (2E)-2-chloro-2-butenedioate is a versatile compound with notable chemical properties that can be leveraged in various synthetic pathways.
Formula:C6H7ClO4
InChI:InChI=1S/C6H7ClO4/c1-2-11-6(10)4(7)3-5(8)9/h3H,2H2,1H3,(H,8,9)/b4-3+
InChI key:InChIKey=KAWAKUUNSZSGEW-ONEGZZNKSA-N
SMILES:C(\C(OCC)=O)(=C\C(O)=O)/Cl
Synonyms:- 2-Butenedioic acid, 2-chloro-, 1-ethyl ester, (E)-
- 2-Butenedioic acid, 2-chloro-, 1-ethyl ester, (2E)-
- 1-Ethyl (2E)-2-chloro-2-butenedioate
- Maleic acid, 2-chloro-, 1-ethyl ester
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