4-Chloro-3-nitrobenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Chloro-3-nitrobenzenesulfonyl chloride
• CAS No.: 97-08-5
• Molecular Formula: C6H3Cl2NO4S
• Molecular Weight: 256.066
• Hs Code.: 29049090
• European Community (EC) Number: 202-558-2
• UNII: 9H74VBH6E8
• DSSTox Substance ID: DTXSID2059148
• Nikkaji Number: J28.768G
• Wikidata: Q72455700
• Mol file: 97-08-5.mol

Synonyms:97-08-5;4-CHLORO-3-NITROBENZENESULFONYL CHLORIDE;4-Chloro-3-Nitrobenzene-1-Sulfonyl Chloride;Benzenesulfonyl chloride, 4-chloro-3-nitro-;4-Chloro-3-nitrobenzenesulfonylchloride;Yellow Sulfon Chloride;3-Nitro-4-chlorobenzenesulfonyl chloride;4-Chloro-3-nitrobenzenesulphonyl chloride;4-Chloro-3-nitro benzene sulfonyl chloride;EINECS 202-558-2;MFCD00007440;4-chloro-3-nitrophenylsulfonyl chloride;SCHEMBL376610;9H74VBH6E8;DTXSID2059148;SEWNAJIUKSTYOP-UHFFFAOYSA-;4-chlor-3-nitrobenzensulfonylchlorid;AKOS000119642;3-nitro 4-chlorobenzenesulfonylchloride;3-nitro-4-chlorobenzenesulfonylchloride;CS-W001161;DS-0534;4-chloro-3-nitrobenzensulfonyl chloride;2-nitrochlorobenzene-4-sulfonyl chloride;3-nitro 4-chlorobenzenesulfonyl chloride;3-nitro-4-chlorobenzenesulphonyl chloride;4-Chloro-3-nitro-benzenesulfonyl chloride;4-Chloro-3-nitro-benzenesulphonyl chloride;4-chloro-3-nitrobenzene sulphonyl chloride;4-chloro-3-nitro -benzenesulfonyl chloride;2-Chloro-1-nitrobenzene-5-sulfonyl chloride;AM20050018;C1887;FT-0618083;4-chloro-3-nitrobenzenesulfonic acid chloride;EN300-17131;4-chloro-3-nitro-benzenesulphonic acid chloride;4-Chloro-3-nitrobenzenesulfonyl chloride, 96%;A24472;3-nitro-4-chloro-benzene-sulfonic acid-chloride;W-100118;Z56889113;F0808-2030;4-chloro-3-nitro-benzenesulfonylchlorid

Chemical Property of 4-Chloro-3-nitrobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: light brown crystalline powder
• Vapor Pressure: 6.17E-05mmHg at 25°C
• Melting Point: 59-60 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 356 °C at 760 mmHg
• Flash Point: 169.1 °C
• PSA: 88.34000
• Density: 1.708 g/cm³
• LogP: 3.77970
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.9159841
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-nitrobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-29-14
• Safety Statements: 26-27-28-36/37/39-45-8-30-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])Cl
• 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. 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.

Technology Process of 4-Chloro-3-nitrobenzenesulfonyl chloride

There total 12 articles about 4-Chloro-3-nitrobenzenesulfonyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.8%

aminosulfonic acid (5329-14-6) + 2-Chloronitrobenzene (88-73-3) → 2-Nitrochlorobenznen-4-sulfonyl chloride + 3-nitro-4-chlorosulfonyl chloride (97-08-5)

Guidance literature:

With chlorosulfonic acid;

Reference yield: 84.0%

4-chloro-3-nitro-benzenesulfonic acid ; potassium-salt (6671-49-4) → 3-nitro-4-chlorosulfonyl chloride (97-08-5)

Guidance literature:

With trichlorophosphate; In ice-water; ISOPROPYLAMIDE; water; acetonitrile;

Reference yield: 71.0%

4-chlorobenzenesulfonyl chloride (98-60-2) → 3-nitro-4-chlorosulfonyl chloride (97-08-5)

Guidance literature:

With sulfuric acid; nitric acid; at 30 - 60 ℃;

upstream raw materials:

3-nitro-4-chlorobenzenesulfonic acid

2-Chloronitrobenzene

4-chlorobenzenesulfonyl chloride

4-chloro-3-nitrobenzenesulphonic acid sodium salt

Downstream raw materials:

3-nitro-4-chloro-benzene sulfonic acid phenyl ester

4-chloro-3-nitrobenzenesulfonylhydrazine

1,1'-disulphanediylbis(4-chloro-3-nitrobenzene)

4-Chloro-3-nitrobenzenesulfonamide

Refernces

• 1、 -. "ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION". Page/Page column 9-10. . Retrieved 2011/01/12.
• 2、 Bhattacharya, Gautam,Herman, Johnathan,Delfín, Dawn,Salem, Manar M.,Barszcz, Todd,Mollet, Mike,Riccio, Guy,Brun, Reto,Werbovetz, Karl A.. "Synthesis and Antitubulin Activity of N1- and N 4-Substituted 3,5-Dinitro Sulfanilamides against African Trypanosomes and Leishmania". . p. 1823 - 1832. Retrieved 2007/10/03.