| Identification | More | [Name]
3-NITROBENZENESULFONAMIDE | [CAS]
121-52-8 | [Synonyms]
3-NITROBENZENESULFONAMIDE
M-NITROBENZENESULFONAMIDE
3-nitro-benzenesulfonamid
3-Nitrobenzolesulfamide
Benzenesulfonamide, 3-nitro-
Benzenesulfonamide, m-nitro-
m-nitrobenzenesulphonamide | [EINECS(EC#)]
204-477-8 | [Molecular Formula]
C6H6N2O4S | [MDL Number]
MFCD00007935 | [Molecular Weight]
202.19 | [MOL File]
121-52-8.mol |
| Chemical Properties | Back Directory | [Appearance]
light brown powder | [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 | [form ]
Powder | [pka]
9.47±0.60(Predicted) | [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 Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29350090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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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