4-Chloro-3-nitrobenzenesulfonyl chloride CAS 97-08-5

Introduction：Basic information about 4-Chloro-3-nitrobenzenesulfonyl chloride CAS 97-08-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

4-Chloro-3-nitrobenzenesulfonyl chloride Basic information

• Product Name: 4-Chloro-3-nitrobenzenesulfonyl chloride
• Synonyms: 3-NITRO-4-CHLOROBENZENESULFONYL CHLORIDE;3-NITRO-4-CHLOROBENZENSULFONYL CHLORIDE;2-CHLORO-1-NITROBENZENE-5-SULFONYL CHLORIDE;4-CHLORO-3-NITROBENZENE-1-SULFONYL CHLORIDE;4-CHLORO-3-NITROBENZENESULFONYL CHLORIDE;4-CHLORO-3-NITROBENZENESULPHONYL CHLORIDE;YELLOW SULFON CHLORIDE;4-chloro-3-nitro-benzenesulfonylchlorid
• CAS: 97-08-5
• MF: C6H3Cl2NO4S
• MW: 256.06
• EINECS: 202-558-2
• Product Categories: Building Blocks;Chemical Synthesis;Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds;Intermediates of Dyes and Pigments;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds
• Mol File: 97-08-5.mol

4-Chloro-3-nitrobenzenesulfonyl chloride Chemical Properties

• Melting point: 59-60 °C (lit.)
• Boiling point: 356°C (rough estimate)
• density: 1.696 (estimate)
• refractive index: 1.6000 (estimate)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: soluble in Toluene
• form: Crystalline Powder
• color: Light brown
• Sensitive: Moisture Sensitive
• BRN: 1978600
• InChI: 1S/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H
• InChIKey: SEWNAJIUKSTYOP-UHFFFAOYSA-N
• SMILES: [O-][N+](=O)c1cc(ccc1Cl)S(Cl)(=O)=O
• CAS DataBase Reference: 97-08-5(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonyl chloride, 4-chloro-3-nitro-(97-08-5)
• EPA Substance Registry System: Benzenesulfonyl chloride, 4-chloro-3-nitro- (97-08-5)

Safety Information

• Hazard Codes: C
• Risk Statements: 34-29-14
• Safety Statements: 26-27-28-36/37/39-45-8-30-22
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• Hazard Note: Corrosive
• TSCA: TSCA listed
• HazardClass: 8
• PackingGroup: II
• HS Code: 29049090
• Storage Class: 8A - Combustible corrosive hazardous materials
• Hazard Classifications: Eye Dam. 1 Skin Corr. 1B

4-Chloro-3-nitrobenzenesulfonyl chloride Usage And Synthesis

Chemical Properties

LIGHT BROWN CRYSTALLINE POWDER

Uses

4-Chloro-3-nitrobenzenesulfonyl Chloride is used in the synthesis of novel sulfonamide derivatives of tricyclic thieno[2,3-d]pyrimidin-4(3H)-ones which increases melanin synthesis in murine B16 cells.

Uses

4-Chloro-3-nitrobenzenesulfonyl chloride can be used:

• In the preparation of functionalized 1H-indenes via copper-catalyzed arylative cyclization.
• As a precursor in the synthesis of N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives that show potential nematicidal activity.
• As a key starting material in the synthesis of sulfonamide analogs of ferrostatin-1 (fer-1), which possess good ferroptosis inhibition property.
• In the synthesis of 4-chloro-3-nitrobenzene thiol.

Synthesis

6671-49-4

97-08-5

Synthesis Example 2-2 Synthesis of 4-chloro-3-nitrobenzenesulfonyl chloride: to a reaction vial containing a mixture of 1280 g of potassium 4-chloro-3-nitrobenzenesulfonate, 1150 mL of acetonitrile, 250 mL of sulfoxide, and 30 mL of dimethylacetamide, 1240 mL of phosphinic acid chloride was added dropwise at a slow rate, while controlling the temperature within the reaction system to maintain a temperature of 60°C to 70°C. After the dropwise addition was completed, the reaction mixture was stirred at 73°C for 3 hours. Upon completion of the reaction, the reaction mixture was cooled with water, followed by the slow addition of 400 mL of water. The reaction mixture was poured into 5 L of ice water and the precipitated crystals were separated by filtration, washed with water and dried to give 1060 g of the target product 4-chloro-3-nitrobenzenesulfonyl chloride in 84% yield. The melting point of the product was 55 °C to 56 °C.

References

[1] Patent: US5221750, 1993, A
[2] Patent: US5071994, 1991, A

4-Chloro-3-nitrobenzenesulfonyl chloride Preparation Products And Raw materials

• Raw materials: Sulfuryl chloride-->2-Nitrochlorobenzene-->1,4-Benzenedisulfonic acid, 2-nitro--->potassium 4-chloro-3-nitrobenzenesulphonate-->4-Chloro-3-nitroaniline-->4-CHLORO-3-NITROBENZENESULFONIC ACID, SODIUM SALT-->trichlorophosphate-->Chlorosulfonic acid-->4-Chlorobenzenesulfonic acid-->4-Chlorobenzenesulfonyl chloride
• Preparation Products: 5-[[4-(aminosulphonyl)-2-nitrophenyl]amino]-2-[[4-[[4-(aminosulphonyl)-2-nitrophenyl]amino]phenyl]amino]benzenesulphonic acid-->4-Chloro-3-nitrobenzenesulfonic acid-->Disperse Yellow Se-Fl-->4-chloro-N-methyl-3-nitro-N-phenylbenzenesulphonamide-->4-chloro-N-isopropyl-3-nitrobenzenesulphonamide-->4-(4-CHLORO-3-NITRO-BENZENESULFONYL)-MORPHOLINE