Sodium;2,4,6-trinitrobenzenesulfonic acid

Base Information

• Chemical Name: Sodium;2,4,6-trinitrobenzenesulfonic acid
• CAS No.: 5400-70-4
• Molecular Formula: C6H3 N3 O9 S . Na
• Molecular Weight: 315.152
• Hs Code.: 2904909090
• NSC Number: 10376
• Mol file: 5400-70-4.mol

Synonyms:SCHEMBL225169;NSC10376;NSC-10376

Chemical Property of Sodium;2,4,6-trinitrobenzenesulfonic acid

Chemical Property:

• Melting Point: >300℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 203.04000
• Density: 1.984g/cm³
• LogP: 2.96570
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 315.94876914
• Heavy Atom Count: 20
• Complexity: 470

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Safety Statements: 17-26-36/37/39

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-].[Na+]

Technology Process of Sodium;2,4,6-trinitrobenzenesulfonic acid

There total 1 articles about Sodium;2,4,6-trinitrobenzenesulfonic acid 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-trinitrochlorobenzene (88-88-0) + sodium hydrogensulfite → sodium 2,4,6-trinitrobenzene-1-sulfonate (5400-70-4)

Guidance literature:

In ethanol; water; excess of NaHSO3 soln.;

Reference yield: 85.0%

C59H96N6O32 + sodium 2,4,6-trinitrobenzene-1-sulfonate (5400-70-4) → C65H97N9O38

Guidance literature:

With pyridine; In methanol; at 20 ℃; for 24h;

DOI:10.1021/ol063078e

Reference yield: 85.0%

sodium 2,4,6-trinitrobenzene-1-sulfonate (5400-70-4) + 4,4'-Diaminostilbene dihydrochloride → (E)-4,4'-Bis(2,4,6-trinitrophenylamino)stilbene

Guidance literature:

With sodium hydrogencarbonate; In water; acetone; at 25 ℃; for 24h;

DOI:10.1039/a902176k

upstream raw materials:

2,4,6-trinitrochlorobenzene

Downstream raw materials:

N-(2,4,6-Trinitro-phenyl)-DL-alaninol

N-(2,4,6-Trinitro-phenyl)-S-2-propinyl-L-cystein

N-(2,4,6-Trinitro-phenyl)-L-valinol

N-(2,4,6-Trinitro-phenyl)-S-1-propinyl-L-cystein