| Identification | More | [Name]
4-CYANOBENZENE-1-SULFONAMIDE | [CAS]
3119-02-6 | [Synonyms]
BUTTPARK 48\11-02
4-CYANOBENZENE-1-S
4-CYANOBENZENE-1-SUL
4-Sulphamoylbenzonitrile
p-cyano-benzenesulfonamid
4-CYANOBENZENESULFONAMIDE
p-cyanobenzenesulphonamide
4-Cyanobenzenesulphonamide
Benzenesulfonamide, 4-cyano-
4-CYANOBENZENE-1-SULFONAMIDE
4-CYANOBENZENE-1-SULPHONAMIDE
4-Cyanobenzenesulfonamide,97%
4-(Aminosulfonyl)benzonitrile
4-Cyanobenzenesulphonamide 97%
Benzenesulfonamide, 4-cyano- (9CI)
4-Cyanobenzene-1-sulfonamide, 95+%
4-Sulphamoylbenzonitrile, 4-(Aminosulphonyl)benzonitrile | [EINECS(EC#)]
221-492-5 | [Molecular Formula]
C7H6N2O2S | [MDL Number]
MFCD00178767 | [Molecular Weight]
182.2 | [MOL File]
3119-02-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
166 °C | [Boiling point ]
400.7±47.0 °C(Predicted) | [density ]
1.3827 (rough estimate) | [refractive index ]
1.6000 (estimate) | [RTECS ]
DB1582000 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
9.57±0.10(Predicted) | [color ]
Off-white | [Water Solubility ]
1.111g/L(15 ºC) | [InChI]
1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11) | [InChIKey]
UZECCNDOASGYNH-UHFFFAOYSA-N | [SMILES]
NS(=O)(=O)c1ccc(cc1)C#N | [CAS DataBase Reference]
3119-02-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
3276 | [WGK Germany ]
WGK 3 | [Hazard Note ]
Harmful | [HazardClass ]
IRRITANT | [HS Code ]
29350090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
4-Cyanobenzene-1-sulfonamide is a carbonic anhydrase inhibitor. | [Synthesis]
General procedure for the synthesis of p-cyanobenzenesulfonamide from 4-cyanobenzenesulfonyl chloride: 4-cyanobenzenesulfonyl chloride (10 mmol) was dissolved in anhydrous tetrahydrofuran (40 mL). A 30% aqueous ammonium hydroxide solution (3 mL) was slowly added to the reaction mixture at 0 °C, followed by stirring the reaction for 1 h at room temperature. After completion of the reaction, the reaction mixture was extracted with ethyl acetate and the organic phase was dried with anhydrous sodium sulfate. After concentration under reduced pressure, the white solid product p-cyanobenzenesulfonamide (1.6 g, 88% yield) was obtained by grinding with ether. The structure of the product was confirmed by 1H NMR (400 MHz, DMSO-d6) and 13C NMR (100 MHz, DMSO-d6): 1H NMR δ 8.11 (2H, d, J = 8.58 Hz), 8.02 (2H, d, J = 8.62 Hz), 7.69 (2H, bs, NH2, exchange with D2O); 13C NMR δ 148.9, 134.2, 127.4, 118.8, 115.3. | [References]
[1] European Journal of Medicinal Chemistry, 2018, vol. 157, p. 1214 - 1222
[2] Zhurnal Obshchei Khimii, 1948, vol. 18, p. 110,112
[3] Chem.Abstr., 1948, p. 4976
[4] American Chemical Journal, 1896, vol. 18, p. 163,165
[5] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 16, p. 4397 - 4406 |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
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