CAS 31544-40-8

7-Chloro-2H-1,3-benzoxazine-2,4(3H)-dione

Description:

7-Chloro-2H-1,3-benzoxazine-2,4(3H)-dione, with the CAS number 31544-40-8, is a chemical compound characterized by its unique bicyclic structure that incorporates both a benzene ring and an oxazine moiety. This compound features a chlorine substituent at the 7-position, which can influence its reactivity and biological activity. The presence of the dione functional groups indicates that it contains two carbonyl groups, contributing to its potential as a reactive intermediate in various chemical reactions. The compound is typically solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical properties suggest potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. Additionally, the presence of the chlorine atom may impart specific electronic properties, affecting its interaction with biological targets. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks. Overall, 7-Chloro-2H-1,3-benzoxazine-2,4(3H)-dione is a compound of interest in both synthetic and medicinal chemistry.

Formula: C₈H₄ClNO₃

InChI: InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)13-8(12)10-7(5)11/h1-3H,(H,10,11,12)

InChI key: InChIKey=KJWJQOMPJKFLKL-UHFFFAOYSA-N

SMILES: O=C1C=2C(OC(=O)N1)=CC(Cl)=CC2

Synonyms:

• 2H-1,3-Benzoxazine-2,4(3H)-dione, 7-chloro-
• 7-Chloro-2H-1,3-benzoxazine-2,4(3H)-dione

7-Chloro-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione

CAS: 31544-40-8

Versatile small molecule scaffold

Formula: C₈H₄ClNO₃

Purity: Min. 95%

Molecular weight: 197.57 g/mol

Ref: 3D-GBA54440