4-Nitrothiophene-2-sulfonyl chloride

Base Information

• Chemical Name: 4-Nitrothiophene-2-sulfonyl chloride
• CAS No.: 40358-04-1
• Molecular Formula: C₄H₂ClNO₄S₂
• Molecular Weight: 227.649
• Hs Code.: 2934999090
• European Community (EC) Number: 824-202-0
• DSSTox Substance ID: DTXSID80591966
• Nikkaji Number: J1.443.563H
• Wikidata: Q82485838
• Mol file: 40358-04-1.mol

Synonyms:4-nitrothiophene-2-sulfonyl chloride;40358-04-1;SCHEMBL18228;DTXSID80591966;WUMGHGGPZKZYNN-UHFFFAOYSA-N;AMY16287;4-nitro-thiophene-2-sulfonyl chloride;AKOS006223888;AT16647;DB-340394;EN300-43162

Chemical Property of 4-Nitrothiophene-2-sulfonyl chloride

Chemical Property:

• Melting Point: 48 °C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 372.5±27.0 °C(Predicted)
• PSA: 116.58000
• Density: 1.750 (estimate)
• LogP: 3.18780
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 226.9113776
• Heavy Atom Count: 12
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

4-Nitrothiophene-2-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

Useful:

• Canonical SMILES: C1=C(SC=C1[N+](=O)[O-])S(=O)(=O)Cl

Technology Process of 4-Nitrothiophene-2-sulfonyl chloride

There total 3 articles about 4-Nitrothiophene-2-sulfonyl 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:

thiophene-2-sulfonyl chloride (16629-19-9) → 5-nitrothiophene-2-sulphonyl chloride (36035-01-5) + 4-nitrothiophene-2-sulphonyl chloride (40358-04-1)

Guidance literature:

With nitric acid;

DOI:10.1021/jo01363a604 DOI:10.1039/jr9480000525

Reference yield:

thiophene-2-sulfonyl chloride (16629-19-9) + nitric acid (7697-37-2,78989-43-2) → 5-nitrothiophene-2-sulphonyl chloride (36035-01-5) + 4-nitrothiophene-2-sulphonyl chloride (40358-04-1)

Guidance literature:

DOI:10.1021/jo01363a604

Reference yield:

→ 4-nitrothiophene-2-sulphonyl chloride (40358-04-1)

Guidance literature:

Thiophen-2-sulfonylchlorid, HNO3 (D= 1.51) (neben 5-Nitrothiophen-2-sulfonylchlorid);

upstream raw materials:

thiophene-2-sulfonyl chloride

nitric acid

Downstream raw materials:

2-(4-(4-((4-nitro-2-thiophenyl)-sulfonyl)-1-piperazinyl)phenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

4-Nitro-thiophene-2-sulfonic acid phenylamide

3-nitrothiophene

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