CAS 120681-06-3

(2E)-3-(2-Chlorophenyl)-2-propenoyl chloride

Description:

(2E)-3-(2-Chlorophenyl)-2-propenoyl chloride, with the CAS number 120681-06-3, is an organic compound characterized by its functional groups and structural features. It contains a propenoyl moiety, which is a vinyl group attached to a carbonyl, indicating it is an unsaturated acyl chloride. The presence of the 2-chlorophenyl group suggests that it has a chlorinated aromatic ring, which can influence its reactivity and physical properties. This compound is typically a colorless to pale yellow liquid, exhibiting a pungent odor due to the acyl chloride functional group. It is reactive, particularly with water, leading to the formation of corresponding acids and potentially hazardous byproducts. The compound is often used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Its reactivity makes it a valuable intermediate in chemical reactions, including acylation and coupling reactions. Proper handling and storage are essential due to its corrosive nature and potential health hazards associated with exposure.

Formula: C₉H₆Cl₂O

InChI: InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H/b6-5+

InChI key: InChIKey=ZAUFNZFFWDQKPL-AATRIKPKSA-N

SMILES: C(=C/C(Cl)=O)\C1=C(Cl)C=CC=C1

Synonyms:

• 2-Propenoyl chloride, 3-(2-chlorophenyl)-, (E)-
• (2E)-3-(2-Chlorophenyl)-2-propenoyl chloride
• (E)-2-Chlorocinnamoyl chloride
• 2-Propenoyl chloride, 3-(2-chlorophenyl)-, (2E)-
• (E)-3-(2-Chlorophenyl)-2-propenoyl chloride