3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide , 95% , 1228779-96-1

CAS NO.：1228779-96-1

Empirical Formula: C12H17N3O5S

Molecular Weight: 315.35

MDL number: MFCD28142285

EINECS: 1592732-453-0

PRODUCT Properties

• Melting point: 188 - 191°C
• Boiling point: 542.0±60.0 °C(Predicted)
• Density: 1.412±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C(protect from light)
• solubility: DMSO (Slightly), Methanol (Slightly)
• pka: 9.58±0.60(Predicted)
• form: Solid
• color: Yellow to Dark Yellow
• InChI: InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)
• InChIKey: HNQRHNYBVWICKB-UHFFFAOYSA-N
• SMILES: C1(S(N)(=O)=O)=CC=C(NCC2CCOCC2)C([N+]([O-])=O)=C1
• CAS DataBase Reference: 1228779-96-1

Description and Uses

3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide is a pharmaceutical intermediate compound used in the preparation of Venetoclax, which is used to treat certain types of chronic lymphocytic leukaemia (CL) or certain types of small lymphocytic lymphoma (SLL).

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• HS Code: 2932990090