4H-1,2,4-triazole-3-sulfonyl chloride

Base Information

• Chemical Name: 4H-1,2,4-triazole-3-sulfonyl chloride
• CAS No.: 6461-29-6
• Molecular Formula: C2H2ClN3O2S
• Molecular Weight: 167.576
• Hs Code.: 2933990090
• European Community (EC) Number: 967-499-3
• DSSTox Substance ID: DTXSID80558736
• Wikidata: Q82441133
• Mol file: 6461-29-6.mol

Synonyms:4H-1,2,4-triazole-3-sulfonyl chloride;6461-29-6;2H-[1,2,4]Triazole-3-sulfonyl chloride;1H-1,2,4-triazole-5-sulfonyl chloride;1h-1,2,4-triazole-3-sulfonyl chloride;MFCD09972083;SCHEMBL50986;DTXSID80558736;KRGDHNPMWOBKPN-UHFFFAOYSA-N;3-chlorosulfonyl-1,2,4-triazole;1,2,4-triazol-3- sulfonylchloride;1,2,4-triazole-3-sulfonyl chloride;AKOS005173440;AKOS006223878;AKOS015934970;FS-6620;4H-1,2,4-triazole-3-sulfonylchloride;CS-0147882;F70513;EN300-1988367;A821000;A834828;A867852;2H-[1,2,4]Triazole-3-sulfonyl chloride, AldrichCPR;4H-1,2,4-Triazole-3-sulfonyl chloride, AldrichCPR;1H-1,2,4-Triazole-3-thiol

Chemical Property of 4H-1,2,4-triazole-3-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 122-124 °C
• Refractive Index: 1.573
• Boiling Point: 425.191 °C at 760 mmHg
• PKA: 2.98±0.20(Predicted)
• Flash Point: 210.948 °C
• PSA: 84.09000
• Density: 1.844 g/cm³
• LogP: 0.81300
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 166.9556252
• Heavy Atom Count: 9
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

4H-1,2,4-Triazole-3-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=N1)S(=O)(=O)Cl
• Uses: 4H-1,2,4-Triazole-3-sulfonyl Chloride is used in the preparation of sulfamoyltriazole derivatives as agricultural and horticultural fungicides.

Technology Process of 4H-1,2,4-triazole-3-sulfonyl chloride

There total 2 articles about 4H-1,2,4-triazole-3-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: 75.0%

1H-[1,2,4]triazole-3-thiol (3179-31-5) → 1,2,4-triazole-3-sulphonyl chloride (6461-29-6)

Guidance literature:

With hydrogenchloride; water; at 0 ℃; for 1h;

Reference yield:

→ 1,2,4-triazole-3-sulphonyl chloride (6461-29-6)

Guidance literature:

3-Mercapto-1,2,4-triazol, Cl2;

Reference yield: 83.1%

N-benzylcyclopropanamine (13324-66-8) + 1,2,4-triazole-3-sulphonyl chloride (6461-29-6) → N-benzyl-N-cyclopropyl-1H-1,2,4-triazole-3-sulfonamide

Guidance literature:

N-benzylcyclopropanamine; With triethylamine; In tetrahydrofuran; at 0 - 5 ℃;

1,2,4-triazole-3-sulphonyl chloride; In tetrahydrofuran; for 13h;

upstream raw materials:

1H-[1,2,4]triazole-3-thiol

Downstream raw materials:

3-(2,4,6-trimethylphenoxysulfonyl)-1,2,4-triazole

3-(2,4-dichloro-3-methylphenoxysulfonyl)-1,2,4-triazole

N-{2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]ethyl}-1H-1,2,4-triazole-3-sulfonamide

(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(1H-1,2,4-triazol-5-ylsulfonyl)piperazine