3-Aminobenzenesulfonamide Chemical Properties

Melting point:

139 °C

Boiling point:

420.7±47.0 °C(Predicted)

Density 

1.303 (estimate)

refractive index 

1.6490 (estimate)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

form 

solid

pka

10.34±0.60(Predicted)

color 

White to Light red to Green

Water Solubility 

11.96g/L(24 ºC)

InChI

InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

InChIKey

JPVKCHIPRSQDKL-UHFFFAOYSA-N

SMILES

C1(S(N)(=O)=O)=CC=CC(N)=C1

CAS DataBase Reference

98-18-0(CAS DataBase Reference)

NIST Chemistry Reference

m-Aminobenzenesulfonamide(98-18-0)

EPA Substance Registry System

Benzenesulfonamide, 3-amino- (98-18-0)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

24/25

WGK Germany 

3

RTECS 

OY2200000

Hazard Note 

Harmful/Irritant

TSCA 

Yes

HS Code 

29350090

MSDS

• Language:English Provider:ALFA

3-Aminobenzenesulfonamide Usage And Synthesis

Chemical Properties

Deep yellow powder

Synthesis

(a) 3-Nitrobenzenesulfonamide (1.0 g, 5 mmol) was suspended in 10 mL of methanol, followed by addition of tetrahydrofuran (THF) until the solid was completely dissolved. Ammonium acetate (1.45 g, 23 mmol) and 10% palladium/carbon catalyst (205 mg) were added sequentially at 0 °C. The reaction temperature was maintained at 0-5 °C until the gas release stopped completely. The reaction system was then warmed to room temperature and stirred continuously for 2 hours. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad and the solid residue was washed well with THF. Concentration of the filtrate gave 3-aminobenzenesulfonamide as a white solid (810 mg, 93% yield), which could be used in subsequent reactions without further purification. MS (+ESI): 173.0 (M+H+).

References

[1] Patent: WO2009/39553, 2009, A1. Location in patent: Page/Page column 58-59
[2] Patent: WO2008/129080, 2008, A1. Location in patent: Page/Page column 156; 174
[3] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 1, p. 28 - 33
[4] Patent: CN106543077, 2017, A. Location in patent: Paragraph 0069-0071
[5] Farmaco, Edizione Scientifica, 1959, vol. 14, p. 751,761

3-Aminobenzenesulfonamide(98-18-0)Related Product Information

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