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)

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 

Yes

HS Code 

29350090

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich

3-NITROBENZENESULFONAMIDE Usage And Synthesis

Chemical Properties

light brown powder

Uses

3-Nitrobenzenesulfonamide may be used in chemical synthesis.

Synthesis

General procedure for the synthesis of m-nitrobenzenesulfonamide from 3-nitrobenzenesulfonyl chloride: reference to Example 53 (not the method of the present invention): synthesis of 3-[6-(2-benzyloxy-phenyl)-pyrimidin-4-ylamino]-1-benzenesulfonylimine; synthesis of 3-nitrobenzenesulfonamide. 3-Nitrobenzenesulfonyl chloride (2.0 g, 9.0 mmol) was dissolved in acetonitrile (20 mL). Concentrated ammonia (20 mL) saturated with ammonium carbonate was added to this solution and the reaction mixture was stirred vigorously for 1 hour at room temperature. Subsequently, the acetonitrile was evaporated under reduced pressure and the residue was diluted with cold water (30 mL) to induce precipitate formation. The precipitate was collected by filtration and washed sequentially with water (2 x 15 mL) and ether and finally dried. 3-Nitrobenzenesulfonamide 1.46 g (80% yield) was obtained as a beige powder. Mass spectrum (Cl MS) m/z 203 (MH+).

References

[1] Patent: WO2008/129080, 2008, A1. Location in patent: Page/Page column 156; 174
[2] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 1, p. 28 - 33
[3] Collection of Czechoslovak Chemical Communications, 1984, vol. 49, # 5, p. 1182 - 1192
[4] Magnetic Resonance in Chemistry, 1987, vol. 25, p. 189 - 193
[5] Russian Journal of Organic Chemistry, 2001, vol. 37, # 1, p. 87 - 92

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