Solex

Base Information

• Chemical Name: Solex
• CAS No.: 13980-00-2
• Molecular Formula: C6H11 N7 O7
• Molecular Weight: 293.196
• Hs Code.: 2933990090
• European Community (EC) Number: 237-765-7
• DSSTox Substance ID: DTXSID50161170
• Wikidata: Q2121168
• Mol file: 13980-00-2.mol

Synonyms:Solex;SEX (explosive);Solex (explosive);13980-00-2;1-(3,5,7-trinitro-1,3,5,7-tetrazocan-1-yl)ethanone;1-Acetyloctahydro-3,5,7-trinitro-1,3,5,7-tetrazocine;EINECS 237-765-7;1,3,5,7-Tetrazocine, octahydro-1-acetyl-3,5,7-trinitro-;1-Acetyl-3,5,7-trinitro-1,3,5,7-octahydrotetrazocine;QDX;SEX;SCHEMBL9462062;C6H11N7O7;DTXSID50161170;C16H11N7O7;C16-H11-N7-O7;Ethanone,1-(hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)-;LS-149035;Q2121168;1,3,5,7-Tetrazocine, 1-acetyloctahydro-3,5,7-trinitro-

Chemical Property of Solex

Chemical Property:

• Vapor Pressure: 2E-25mmHg at 25°C
• Boiling Point: 797.3°Cat760mmHg
• Flash Point: 436°C
• PSA: 167.49000
• Density: 1.73g/cm³
• LogP: -0.51920
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 293.07199572
• Heavy Atom Count: 20
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

1-(3,5,7-TRINITRO-1,3,5,7-TETRAZOCAN-1-YL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Solex

There total 3 articles about Solex 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:

1-acetyl-3,7-dinitro-5-nitroso-octahydro-[1,3,5,7]tetrazocine (13980-02-4) → octahydro-1-N-acetyl-3,5,7-trinitro-1,3,5,7-tetrazocine (13980-00-2)

Guidance literature:

With nitric acid;

DOI:10.1021/ja01150a102

Reference yield:

3,7-dinitro-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane (949-56-4) → octahydro-1-N-acetyl-3,5,7-trinitro-1,3,5,7-tetrazocine (13980-00-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NOCl

2: HNO₃

With nitric acid; nitrosylchloride;

DOI:10.1021/ja01150a102

Reference yield:

hexamethylenetetramine (100-97-0) + acetic anhydride (108-24-7) → octahydro-1-N-acetyl-3,5,7-trinitro-1,3,5,7-tetrazocine (13980-00-2)

Guidance literature:

With ammonium nitrate; acetamide; nitric acid; acetic acid;

upstream raw materials:

hexamethylenetetramine

acetic anhydride

1-acetyl-3,7-dinitro-5-nitroso-octahydro-[1,3,5,7]tetrazocine

3,7-dinitro-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane