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2,4,6-Trinitrobenzene Sulfonate

Base Information
  • Chemical Name:2,4,6-Trinitrobenzene Sulfonate
  • CAS No.:16655-63-3
  • Molecular Formula:C6H2 N3 O9 S
  • Molecular Weight:292.163
  • Hs Code.:
  • DSSTox Substance ID:DTXSID30937214
  • Wikidata:Q82913423
  • Mol file:16655-63-3.mol
2,4,6-Trinitrobenzene Sulfonate

Synonyms:2,4,6-Trinitrobenzene Sulfonate;Picrylsulfonic Acid;Sulfonate, Trinitrobenzene;Trinitrobenzene Sulfonate;Trinitrobenzenesulfonic Acid;Trinitrobenzenesulfonic Acid, Sodium Salt

Suppliers and Price of 2,4,6-Trinitrobenzene Sulfonate
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of 2,4,6-Trinitrobenzene Sulfonate
Chemical Property:
  • Boiling Point:°Cat760mmHg 
  • Flash Point:°C 
  • Density:g/cm3 
  • XLogP3:-0.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:0
  • Exact Mass:291.95117482
  • Heavy Atom Count:19
  • Complexity:457
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Technology Process of 2,4,6-Trinitrobenzene Sulfonate

There total 2 articles about 2,4,6-Trinitrobenzene Sulfonate 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:
Guidance literature:
With sodium sulfate; sodium sulfite; In water; dimethyl sulfoxide; at 25 ℃; Rate constant; Product distribution;
DOI:10.1002/(SICI)1099-1395(1998110)11:11<787::AID-POC38>3.0.CO;2-0
Guidance literature:
With sodium sulfate; sodium sulfite; In water; dimethyl sulfoxide; at 25 ℃; Rate constant; Product distribution;
DOI:10.1002/(SICI)1099-1395(1998110)11:11<787::AID-POC38>3.0.CO;2-0
Guidance literature:
With N-benzyl-1,4-dihydronicotinamide; at 50.6 ℃; Rate constant; Thermodynamic data; pH=9.12 with 0.02 M borate buffer;
DOI:10.1016/S0040-4039(01)81863-3
Refernces

Metal-1,10-Phenanthroline-Linked Dihydronicotinamides as Models for the NADH-Alcohol Dehydrogenase Coenzyme-Enzyme Couple

10.1021/jo00298a049

The research focuses on the synthesis and investigation of the reactivity of two phenanthroline-linked dihydronicotinamides, compounds 3 and 6, which serve as models for the NADH-alcohol dehydrogenase coenzyme-enzyme complex. The purpose of this study was to examine whether the metal ion in these models could mimic the function of catalytic zinc in alcohol dehydrogenase, specifically in binding the substrate near the dihydronicotinamide group, orienting the groups for hydride transfer, and activating the carbonyl group for reduction. The researchers concluded that the metal ion in these models, particularly when Zn2+ is present, could effectively mimic the catalytic function of zinc in the enzyme complex, with hydride transfer occurring within a ternary complex. Key chemicals used in the process include 1,4-dihydro-l-(l,l0-phenanthrolin-2-ylmethyl)-3-pyridinecarboxamide (3), 1,4-dihydro-N-(l,l0-phenanthrolin-2-ylmethyl)-l-(phenylmethyl)-3-pyridinecarboxamide (6), 2,4,6-trinitrobenzene sulfonate (TNBS), methylene blue (MB+), and 2-pyridinecarboxaldehyde (PyCHO), along with various metal ions (M2+ = Zn2+, Co2+, Ni2+, Mg2+, and Cd2+).

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