1H-imidazole-4-sulfonyl chloride

Base Information

• Chemical Name: 1H-imidazole-4-sulfonyl chloride
• CAS No.: 58767-51-4
• Molecular Formula: C3H3ClN2O2S
• Molecular Weight: 166.588
• Hs Code.: 2933290090
• European Community (EC) Number: 694-728-1
• DSSTox Substance ID: DTXSID60596893
• Wikidata: Q72482331
• Mol file: 58767-51-4.mol

Synonyms:1H-imidazole-4-sulfonyl chloride;58767-51-4;1H-imidazole-5-sulfonyl chloride;4-Chlorosulfonylimidazole;imidazole-4-sulfonyl chloride;MFCD08687938;4-Imidazolesulfonyl Chloride;imidazole-4-sulfonylchloride;SCHEMBL16754;imidazole- 4-sulfonylchloride;Imidazole-4-sulphonyl chloride;imidazole-4-sul-fonyl chloride;1H-imidazole-4-sulfonylchloride;DTXSID60596893;MXCZCMCHRWGSBX-UHFFFAOYSA-N;1-H-imidazole-4-sulphonyl chloride;BBL011082;SC3421;STK802292;AKOS000264973;CS-W010803;1H-Imidazole-4-sulfonyl chloride, 95%;AM804095;BS-13144;SY024779;1H-Imidazole-4-sulfonyl chloride, AldrichCPR;EN300-75269;A869370;F2158-0574

Chemical Property of 1H-imidazole-4-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 8.09E-07mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 418.2 °C at 760 mmHg
• PKA: 6.40±0.10(Predicted)
• Flash Point: 206.7 °C
• PSA: 71.20000
• Density: 1.706 g/cm³
• LogP: 1.41800
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.9603762
• Heavy Atom Count: 9
• Complexity: 185

Purity/Quality:

98%,99%, ^*data from raw suppliers

1H-Imidazole-4-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)S(=O)(=O)Cl
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Technology Process of 1H-imidazole-4-sulfonyl chloride

There total 3 articles about 1H-imidazole-4-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: 42.0%

1H-imidazole (288-32-4) → 1H-imidazole-5-sulfonyl chloride (58767-51-4)

Guidance literature:

With chlorosulfonic acid; at 0 - 130 ℃; for 3.25h;

Reference yield:

1(3)H-imidazole-4-sulfonic acid (60634-74-4) → imidazole-4-sulphonyl chloride (58767-51-4)

Guidance literature:

With thionyl chloride; at 40 - 125 ℃; Inert atmosphere;

DOI:10.1021/jo2025702

Reference yield:

→ imidazole-4-sulphonyl chloride (58767-51-4)

Guidance literature:

Imidazol, ClSO3H,SOCl2;

upstream raw materials:

1⁽³⁾H-imidazole-4-sulfonic acid

1H-imidazole

Downstream raw materials:

C₁₁H₁₃N₃O₂S

N,N-bis(2,4-dimethoxybenzyl)-1H-imidazole-4-sulfonamide

Refernces

• 1、 -. "THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE". Page/Page column 97. . Retrieved 2010/11/03.