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
• DSSTox Substance ID: DTXSID30937214
• Wikidata: Q82913423
• Mol file: 16655-63-3.mol

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

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:

Reference yield:

2,4,6-trinitrophenyl phenyl ether (6973-40-6) → 2,4,6-trinitrobenzeno-1-sulfonate (16655-63-3) + C12H7N3O10S(2-) + C12H7N3O13S2(4-)

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

Reference yield:

phenyl-picryl sulfide (14678-56-9) → 2,4,6-trinitrobenzeno-1-sulfonate (16655-63-3) + C12H7N3O9S2(2-) + C12H7N3O12S3(4-)

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

Reference yield:

2,4,6-trinitrobenzeno-1-sulfonate (16655-63-3) → 1,3,5-trinitrobenzene (99-35-4)

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

upstream raw materials:

2,4,6-trinitrophenyl phenyl ether

phenyl-picryl sulfide

Downstream raw materials:

1,3,5-trinitrobenzene

1-propyl-3-carbamoylpyridinium

3-carbamoyl-1-hexadecyl-pyridinium

Refernces