2,2',4,4',6,6'-Hexanitrostilbene

Base Information

• Chemical Name: 2,2',4,4',6,6'-Hexanitrostilbene
• CAS No.: 20062-22-0
• Molecular Formula: C14H6N6O12
• Molecular Weight: 450.235
• Hs Code.: 2904209090
• European Community (EC) Number: 243-494-5
• NSC Number: 76741
• UN Number: 0392
• UNII: 5BV4WU3KB3
• Nikkaji Number: J60.955B
• Wikipedia: Hexanitrostilbene
• Mol file: 20062-22-0.mol

Synonyms:hexanitrostilbene

Chemical Property of 2,2',4,4',6,6'-Hexanitrostilbene

Chemical Property:

• Melting Point: 211 °C (decomp)
• Refractive Index: 1.7000 (estimate)
• Boiling Point: 578.2°Cat760mmHg
• Flash Point: 275.4°C
• PSA: 274.92000
• Density: 1.847g/cm³
• LogP: 5.83780
• Water Solubility.: 201mg/L
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 450.00436965
• Heavy Atom Count: 32
• Complexity: 714
• Transport DOT Label: Explosive 1.1D

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Explosives
• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])C=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])/C=C/C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,2',4,4',6,6'-Hexanitrostilbene

There total 12 articles about 2,2',4,4',6,6'-Hexanitrostilbene 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: 97.5%

1,2-bis(2,4,6-trinitrophenyl)ethane (5180-53-0) → 2,2’,4,4’,6,6’-hexanitrostilbene (20062-22-0)

Guidance literature:

With pyridine; bromine; In 1,2-dichloro-ethane; at 80 ℃; for 3h;

Reference yield: 94.2%

2,4,6-Trinitrotoluene (118-96-7) + 2,4,6-trinitrobenzaldehyde (606-34-8) → 2,2’,4,4’,6,6’-hexanitrostilbene (20062-22-0)

Guidance literature:

With piperidine; In toluene; Reflux;

Reference yield: 94.2%

2,4,6-trinitrobenzaldehyde (606-34-8) + 2,4,6-trinitrobenzyltriphenylphosphonium bromide → 2,2’,4,4’,6,6’-hexanitrostilbene (20062-22-0)

Guidance literature:

With potassium hydroxide; In water;

upstream raw materials:

2,4,6-Trinitrobenzyl chloride

dimethyl amine

3-Chlor-2,2',4,4',6,6'-hexanitrostilben

2,4,6-Trinitrotoluene

Downstream raw materials:

2,4,6-trinitrobenzaldehyde

Refernces

• 1、 Lu, Ting-Ting,Lu, Ming. "Efficient 2,2,6,6-tetramethylpiperidine-1-oxyl/iron catalyzed aerobic dehydrogenation of hexanitrobibenzyl to Hexanitrostilbene". . p. 899 - 903. Retrieved 2012.
• 2、 -. "Preparation method and application of O-nitrobenzaldehyde". Paragraph 0050-0052. . Retrieved 2020/09/23.
• 3、 -. "A 2,2 the [...], 4,4 the [...], 6,6 the nitro-six [...] process for the preparation of diphenyl ethylene". Paragraph 0033; 0034; 0035. . Retrieved 2017/03/08.