CAS 74171-22-5

1,4-Dihydro-2,4-dioxo-2H-3,1-benzoxazine-6-sulfonyl chloride

Description:

1,4-Dihydro-2,4-dioxo-2H-3,1-benzoxazine-6-sulfonyl chloride, with the CAS number 74171-22-5, is a chemical compound that features a benzoxazine ring structure, which is characterized by its fused benzene and oxazine components. This compound contains both sulfonyl chloride and diketone functionalities, making it reactive and useful in various synthetic applications. The sulfonyl chloride group is known for its ability to act as a strong electrophile, facilitating nucleophilic substitution reactions. The diketone moiety contributes to the compound's potential as a building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the presence of the benzoxazine structure may impart unique properties, such as thermal stability and the ability to form polymers upon curing. Due to its reactive nature, handling this compound requires caution, as it may pose hazards such as skin and respiratory irritation. Overall, this compound is of interest in both academic research and industrial applications due to its versatile reactivity and structural features.

Formula: C₈H₄ClNO₅S

InChI: InChI=1S/C8H4ClNO5S/c9-16(13,14)4-1-2-6-5(3-4)7(11)15-8(12)10-6/h1-3H,(H,10,12)

InChI key: InChIKey=YLRUKOOOADWBQH-UHFFFAOYSA-N

SMILES: O=C1C=2C(NC(=O)O1)=CC=C(S(Cl)(=O)=O)C2

Synonyms:

• 1,4-Dihydro-2,4-dioxo-2H-3,1-benzoxazine-6-sulfonyl chloride
• 2,4-Dioxo-2,4-dihydro-1H-3,1-benzoxazine-6-sulfonyl chloride
• 2H-3,1-Benzoxazine-6-sulfonyl chloride, 1,4-dihydro-2,4-dioxo-