CAS 769-38-0

2,3,5-Trifluoro-2,5-cyclohexadiene-1,4-dione

Description:

2,3,5-Trifluoro-2,5-cyclohexadiene-1,4-dione, with the CAS number 769-38-0, is a fluorinated organic compound characterized by its unique structure, which includes a cyclohexadiene ring and two carbonyl (dione) functional groups. This compound is notable for its trifluoromethyl groups, which significantly influence its chemical reactivity and physical properties. It typically appears as a colorless to pale yellow liquid or solid, depending on temperature and purity. The presence of fluorine atoms enhances its stability and lipophilicity, making it useful in various chemical applications, including as an intermediate in organic synthesis and in the development of pharmaceuticals. Additionally, the compound exhibits interesting electronic properties due to the conjugation between the diene and carbonyl functionalities, which can affect its reactivity in electrophilic and nucleophilic reactions. Safety precautions should be taken when handling this compound, as it may pose health risks and environmental concerns due to its fluorinated nature.

Formula: C₆HF₃O₂

InChI: InChI=1S/C6HF3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1H

InChI key: InChIKey=XZUKPUPEYNAPPU-UHFFFAOYSA-N

SMILES: FC1=C(F)C(=O)C(F)=CC1=O

Synonyms:

• p-Benzoquinone, trifluoro-
• 2,3,5-Trifluoro-2,5-cyclohexadiene-1,4-dione
• Trifluoro-p-benzoquinone
• 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trifluoro-