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3-Nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]benzenesulfonamide(CAS: 1228779-96-1)

3-Nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]benzenesulfonamide
CAS Number

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Basic Information

Molecular Formula
C12H17N3O5S
Molecular Weight
315.35 g/mol

Physical Properties

Boiling Point
542.0±60.0°C at 760 mmHg

Chemical Identifiers

SMILES
c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])NCC2CCOCC2
InChIKey
HNQRHNYBVWICKB-UHFFFAOYSA-N

Database References

MDL Number
MFCD28142285

FAQ

3-Nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]benzenesulfonamide is a crystalline solid with a molecular weight of approximately 356.14 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetonitrile. The compound is moderately reactive, particularly with nucleophiles, and exhibits good stability under acidic and basic conditions. It is typically stored in a dry, sealed container away from moisture and light.
3-Nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]benzenesulfonamide is typically synthesized through a multi-step process involving nitration of a sulfonamide precursor, followed by amination with tetrahydro-2H-pyran-4-ylmethylamine. The reaction is catalyzed by sulfuric acid, and the overall yield is around 75-80%. The reaction requires careful control of temperature and pH to achieve high selectivity and yield.
3-Nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]benzenesulfonamide is primarily used in the pharmaceutical industry for its reactivity and functionality. It can be a key intermediate in the synthesis of various bioactive compounds and drugs. Additionally, it finds applications in the polymer industry for special coatings and sensors. Its reactivity makes it suitable for use in functional polymers and materials with enhanced performance characteristics.
When handling 3-Nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]benzenesulfonamide, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood at all times to prevent exposure. Spills should be handled carefully using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures. The compound is not considered highly toxic but can cause skin irritation and eye irritation if not handled properly.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures