CAS 77156-62-8

3,4-Dihydro-2H-1,5-benzodioxepin-2-carbonyl chloride

Description:

3,4-Dihydro-2H-1,5-benzodioxepin-2-carbonyl chloride, with the CAS number 77156-62-8, is a chemical compound characterized by its unique bicyclic structure that incorporates a dioxepin moiety. This compound features a carbonyl chloride functional group, which makes it a reactive acyl chloride, typically used in organic synthesis for acylation reactions. The presence of the dioxepin ring contributes to its stability and potential reactivity, allowing it to participate in various chemical transformations. It is generally a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. The compound is soluble in organic solvents, which facilitates its use in laboratory settings. Due to the presence of the carbonyl chloride group, it can react with nucleophiles, making it valuable in the synthesis of more complex organic molecules. Safety precautions should be taken when handling this compound, as acyl chlorides can be corrosive and may release harmful gases upon reaction with water or moisture.

Formula: C₁₀H₉ClO₃

InChI: InChI=1S/C10H9ClO3/c11-10(12)9-5-6-13-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2

InChI key: InChIKey=OQHRZROPXOWOCD-UHFFFAOYSA-N

SMILES: C(Cl)(=O)C1OC=2C(OCC1)=CC=CC2

Synonyms:

• 3,4-Dihydro-2H-1,5-benzodioxepine-2-carbonyl chloride
• 3,4-Dihydro-2H-1,5-benzodioxepin-2-carbonyl chloride
• 2H-1,5-Benzodioxepin-2-carbonyl chloride, 3,4-dihydro-