| Identification | More | [Name]
4-CYANOBENZENESULFONYL CHLORIDE 97 | [CAS]
49584-26-1 | [Synonyms]
4-CYANOBENZENESULFONYL CHLORIDE 97
4-Cyanobenzenesulphonyl chloride
p-Cyanobenzenesulfonyl chloride
paraCyanobenzene Sulfonyl Chloride
p-Cyanobenzenesulphonylchloride
4-(Chlorosulfonyl)-benzonitrile
C-Nitrile, S-chloride | [EINECS(EC#)]
240-079-0 | [Molecular Formula]
C7H4ClNO2S | [MDL Number]
MFCD00052337 | [Molecular Weight]
201.63 | [MOL File]
49584-26-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
107-111 °C (lit.) | [Boiling point ]
90-95 °C(Press: 3-4 Torr) | [density ]
1.53±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
powder to crystal | [color ]
White to Light yellow | [Sensitive ]
Moisture Sensitive | [BRN ]
777939 | [CAS DataBase Reference]
49584-26-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H314-H317 | [Precautionary statements ]
P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R43:May cause sensitization by skin contact.
R29:Contact with water liberates toxic gas.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R14:Reacts violently with water. | [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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S30:Never add water to this product .
S22:Do not breathe dust .
S8:Keep container dry . | [RIDADR ]
UN 3261 8/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
Light orange solid | [Uses]
4-Cyanobenzenesulfonyl chloride is a useful research chemical compound used in the preparation of phenyldiazenyl-sulfonamides as aromatase inhibitors. | [Synthesis]
N-Chlorosuccinimide (NCS, 1.778 g, 13.32 mmol) was slowly added to a suspension of 4-(benzylthio)benzonitrile (1 g, 4.44 mmol) dissolved in acetic acid (AcOH, 10 mL) and water (3.5 mL) at 0 °C. The reaction mixture was stirred at room temperature for 2 hours. After completion of the reaction, the reaction mixture was diluted with ethyl acetate (EtOAc), washed sequentially with water and saturated brine, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography using a hexane solution of 15%-20% ethyl acetate as eluent to give a white solid. The resulting solid was washed with hexane and dried under reduced pressure to give 4-cyanobenzenesulfonyl chloride (0.701 g, 3.48 mmol, 78% yield) as a white solid. The structure of the product was confirmed by 1H NMR (300 MHz, CDCl3): δ 7.91-7.97 (2H, m), 8.15-8.21 (2H, m). | [References]
[1] Patent: WO2018/30550, 2018, A1. Location in patent: Paragraph 0605
[2] Tetrahedron Letters, 2017, vol. 58, # 23, p. 2244 - 2247 |
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