Benzenesulfonic acid, 4-chloro-3,5-dinitro-, potassium salt

Base Information

• Chemical Name: Benzenesulfonic acid, 4-chloro-3,5-dinitro-, potassium salt
• CAS No.: 38185-06-7
• Molecular Formula: C6H2ClKN2O7S
• Molecular Weight: 320.708
• Hs Code.: 2904909090
• European Community (EC) Number: 253-816-6
• UNII: 666M07694U
• DSSTox Substance ID: DTXSID8028002
• Wikidata: Q27263962
• Mol file: 38185-06-7.mol

Synonyms:potassium 4-chloro-3,5-dinitrobenzenesulfonate;38185-06-7;Benzenesulfonic acid, 4-chloro-3,5-dinitro-, potassium salt;4-Chloro-3,5-dinitrobenzenesulfonic acid potassium salt;EINECS 253-816-6;NSC 123956;potassium;4-chloro-3,5-dinitrobenzenesulfonate;Potassium 4-chloro-3,5-dinitrobenzenesulphonate;UNII-666M07694U;Benzenesulfonic acid, 4-chloro-3,5-dinitro-, potassium salt (1:1);666M07694U;NSC-123956;C6H3ClN2O7S.K;DTXSID8028002;SCHEMBL10477277;SOKIKHRZBYSIFN-UHFFFAOYSA-M;C6-H3-Cl-N2-O7-S.K;MFCD00065081;AKOS015962205;LS-195497;Q27263962;3,5-dinitro-4-chlorobenzenesulfonic acid potassium salt

Chemical Property of Benzenesulfonic acid, 4-chloro-3,5-dinitro-, potassium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 154.39000
• Density: 1.911g/cm³
• LogP: 3.53030
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 319.8908308
• Heavy Atom Count: 18
• Complexity: 384

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzenesulfonic acid, 4-chloro-3,5-dinitro-, potassium salt

There total 1 articles about Benzenesulfonic acid, 4-chloro-3,5-dinitro-, potassium salt 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: 56.0%

chlorobenzene (108-90-7) → potassium 4-chloro-3,5-dinitrobenzene sulfonate (38185-06-7)

Guidance literature:

chlorobenzene; With sulfuric acid; at 70 ℃; for 1h; Inert atmosphere;

With sulfuric acid; potassium nitrate; at 130 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2013.01.023

Reference yield: 97.0%

pyrrolidine (123-75-1) + potassium 4-chloro-3,5-dinitrobenzene sulfonate (38185-06-7) → potassium 3,5-dinitro-4-pyrrolidin-1-ylbenzenesulfonate

Guidance literature:

In methanol; for 3h; Heating;

DOI:10.1016/j.bmc.2006.04.017

Reference yield: 92.0%

decyloksantogenian potasowy (7308-25-0) + potassium 4-chloro-3,5-dinitrobenzene sulfonate (38185-06-7) → Potassium; 4-decyloxythiocarbonylsulfanyl-3,5-dinitro-benzenesulfonate (132630-06-9)

Guidance literature:

In methanol; water; at 40 ℃;

upstream raw materials:

chlorobenzene

Downstream raw materials:

Potassium; 4-decyloxycarbonylsulfanyl-3,5-dinitro-benzenesulfonate

Potassium; 4-decyloxythiocarbonylsulfanyl-3,5-dinitro-benzenesulfonate

Potassium; 3,5-dinitro-4-octyloxythiocarbonylsulfanyl-benzenesulfonate

Potassium; 4-dodecyloxythiocarbonylsulfanyl-3,5-dinitro-benzenesulfonate