41378-98-7

Basic information

• Product Name: 1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine
• Synonyms: 1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine
• CAS NO: 41378-98-7
• Molecular Formula: C₁₂H₂₀N₄O₄
• Molecular Weight: 284.3116
• EINECS: 255-343-0
• Mol File: 41378-98-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 158-161 °C
• Boiling Point: 605.5°Cat760mmHg
• Flash Point: 308.6°C
• Appearance: /
• Density: 1.229g/cm³
• Vapor Pressure: 1.3E-14mmHg at 25°C
• Refractive Index: 1.513
• PKA: -0.60±0.20(Predicted)
• CAS DataBase Reference: 1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine(41378-98-7)
• EPA Substance Registry System: 1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine(41378-98-7)

Safety Data

• Hazardous Substances Data: 41378-98-7(Hazardous Substances Data)

Usage

Appearance

White crystalline solid

Solubility

Insoluble in water

Stability

Highly stable under normal conditions

Production method

Nitration of cyclotetramethylenetetranitramine (octogen)

Applications

Military and industrial uses, plastic-bonded explosives, rocket propellants, underwater munitions

Energy content

High

Sensitivity

Relatively low sensitivity to impact and friction

Explosive classification

Class 1.1

Potential for damage

High potential for causing damage and injury

Regulation

Heavily regulated for safety and security

InChI:InChI=1/C12H20N4O4/c1-9(17)13-5-14(10(2)18)7-16(12(4)20)8-15(6-13)11(3)19/h5-8H2,1-4H3

Upstream product

• 110-88-3 1,3,5-Trioxan 
• 75-05-8 acetonitrile 
• 108-24-7 acetic anhydride 

Downstream Products

• 2691-41-0 octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine 

Relevant articles and documents

Investigation of the solubility of octahydro-1,3,5,7-tetranitro-1,3,5,7- tetrazocine and 1,3,5-triacetyl-hexahydro-s-triazine

Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (TAT) was produced by condensation of acetonitrile and trioxane as a low cost precursor for the production of 1,3,5,7-tetranitro-octahydro-1,3,5,7-tetrazocine (HMX). However, 1,3,5-triacetyl-hexahydro-s-triazine (TRAT) was also produced as a byproduct. To develop an efficient and economical method for the separation of TAT and TRAT, the solubilities of TAT and TRAT in ethyl acetate, methanol, acetonitrile and deionized water were investigated at temperatures between 298 K and 318 K. TAT was found to be relative insoluble in ethyl acetate with a maximum solubility of about 0.0295 mol/kg ethyl acetate at 318 K, which was an order of magnitude lower than that of TRAT (0.371 mol/kg ethyl acetate). TRAT was also relatively insoluble in water (0.712 mol/kg water). Accordingly, a method for the separation of TAT and TRAT based on recrystallization in ethyl acetate and precipitation by deionized water was developed. TAT was recrystallized from ethyl acetate with a purity of 97.9 %, and TRAT was recovered from the ethyl acetate filtrate by addition of water with a purity of 98.9 %.

Preparation of octahydro-1,3,5,7-tetraalkanoyl-1,3,5,7-tetrazocines

Octahydro-1,3,5,7-tetraalkanoyl-1,3,5,7-tetrazocines are produced by acting a methylene-bis-alkanecarboxamide with formaldehyde. The reaction carried out by heating the reactants in the presence of an acidic catalyst an inert organic liquid under substantially anhydrous conditions.