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3-Nitrobenzenesulfonamide Structure

3-Nitrobenzenesulfonamide

Chemical Properties

Melting point 166-168 °C (lit.)
Boiling point 407.7±47.0 °C(Predicted)
Density  1.505 (estimate)
refractive index  1.6490 (estimate)
storage temp.  Sealed in dry,Room Temperature
pka 9.47±0.60(Predicted)
form  Powder
color  White to off-white
Water Solubility  444.8mg/L(15 ºC)
InChI 1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
InChIKey TXTQURPQLVHJRE-UHFFFAOYSA-N
SMILES NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
CAS DataBase Reference 121-52-8(CAS DataBase Reference)
EPA Substance Registry System Benzenesulfonamide, 3-nitro- (121-52-8)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39-36
WGK Germany  3
TSCA  TSCA listed
HS Code  29350090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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