6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
[CAS# 8049-49-8]

Identification

• Name: 6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
• Synonyms: 6-Chloro-1,1-Diketo-3,4-Dihydro-2H-Benzo[E][1,2,4]Thiadiazine-7-Sulfonamide; Neo-Flumen; 2H-1,2,4-Benzothiadiazine-7-Sulfonamide, 6-Chloro-3,4-Dihydro-, 1,1-Dioxide
• Molecular Formula: C₇H₈ClN₃O₄S₂
• Molecular Weight: 297.73
• CAS Registry Number: 8049-49-8
• SMILES: C1=C([S](N)(=O)=O)C(=CC2=C1[S](NCN2)(=O)=O)Cl
• InChI: 1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
• InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Melting point: 272°C (Expl.)
• Boiling point: 577.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 302.7±32.9°C (Cal.)

Safety Data

• Safety Description: WARNING: Irreversible damage risk, protect skin/eyes/lungs.

References

• (1): Andrea Johnston, Alastair J. Florence and Alan R. Kennedy . Hydrochlorothiazide N-methyl-2-pyrrolidone disolvate , Acta Cryst (2006). E62, o5169-o5171 Â Â