CAS 1989671-23-9

1,3-Dioxane-5-methanesulfonyl chloride

Description:

1,3-Dioxane-5-methanesulfonyl chloride is a chemical compound characterized by its unique structure, which includes a dioxane ring and a methanesulfonyl chloride functional group. This compound is typically a colorless to pale yellow liquid, exhibiting a relatively low boiling point and moderate solubility in organic solvents. It is known for its reactivity, particularly due to the presence of the sulfonyl chloride group, which can participate in nucleophilic substitution reactions. This makes it a valuable intermediate in organic synthesis, particularly in the preparation of sulfonamides and other sulfonyl-containing compounds. The compound may also exhibit moderate toxicity, necessitating appropriate safety precautions during handling. Its applications can extend to pharmaceuticals, agrochemicals, and materials science, where it serves as a building block for more complex molecules. As with many sulfonyl chlorides, it is sensitive to moisture and should be stored in a dry environment to prevent hydrolysis.

Formula: C₅H₉ClO₄S

InChI: InChI=1S/C5H9ClO4S/c6-11(7,8)3-5-1-9-4-10-2-5/h5H,1-4H2

InChI key: InChIKey=ZQWQUZTZWWDBPJ-UHFFFAOYSA-N

SMILES: C(S(Cl)(=O)=O)C1COCOC1

Synonyms:

• 1,3-Dioxane-5-methanesulfonyl chloride

(1,3-Dioxan-5-yl)methanesulfonyl chloride

CAS: 1989671-23-9

Versatile small molecule scaffold

Formula: C₅H₉ClO₄S

Purity: Min. 95%

Molecular weight: 200.64 g/mol

Ref: 3D-PED67123