13980-04-6

Basic information

• Product Name: hexahydro-1,3,5-trinitroso-1,3,5-triazine
• Synonyms: hexahydro-1,3,5-trinitroso-1,3,5-triazine;TRINITROSOTRIMETHYLENETRIAMINE;TRI-N-NITROSOHEXAHYDRO-1,3,5-TRIAZINE;hexahydro-1,3,5-trinitroso-s-triazine;1,3,5-Trinitroso-1,3,5-triazacyclohexane;1,3,5-Trinitrosohexahydro-1,3,5-triazine;1,3,5-Trinitrosohexahydro-s-triazine;Hexahydro-1-nitroso-3,5-dinitroso-1,3,5-triazine
• CAS NO: 13980-04-6
• Molecular Formula: C₃H₆N₆O₃
• Molecular Weight: 174.11814
• EINECS: 237-766-2
• Mol File: 13980-04-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: 102.85°C
• Boiling Point: 305.07°C (rough estimate)
• Flash Point: 329.6°C
• Appearance: /
• Density: 1.7121 (rough estimate)
• Vapor Pressure: 1.07E-14mmHg at 25°C
• Refractive Index: 1.7000 (estimate)
• CAS DataBase Reference: hexahydro-1,3,5-trinitroso-1,3,5-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: hexahydro-1,3,5-trinitroso-1,3,5-triazine(13980-04-6)
• EPA Substance Registry System: hexahydro-1,3,5-trinitroso-1,3,5-triazine(13980-04-6)

Safety Data

• Hazardous Substances Data: 13980-04-6(Hazardous Substances Data)

Usage

General Description

Hexahydro-1,3,5-trinitroso-1,3,5-triazine, commonly known as R-salt, is a powerful explosive compound that is synthesized by the nitrosation of hexahydro-1,3,5-trinitro-1,3,5-triazine (also known as RDX). It is a highly energetic and stable compound that is used in the production of explosives and propellants due to its high detonation velocity and brisance. R-salt has been used in military applications and is also being explored for potential use in civilian applications such as mining and demolition. However, its high sensitivity and potential toxic effects raise concerns about its safe handling and disposal.

InChI:InChI=1/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2

Upstream product

• 110-90-7 hexahydro-1,3,5-triazine 
• 121-82-4 Hexahydro-1,3,5-trinitro-1,3,5-triazine 
• 100-97-0 hexamethylenetetramine 
• 50-00-0 formaldehyd 

Downstream Products

• 93764-75-1 2-hydroxybenzyl-1,3,5-trinitrosohexahydro-1,3,5-triazine 
• 121-82-4 Hexahydro-1,3,5-trinitro-1,3,5-triazine 

Relevant articles and documents

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New NO donors with antithrombotic and vasodilating activities, part 22: Nitrosation products of hexamethylenetetramine

Two nitrosation products of hexamethylenetetramine, namely 1,3,5- trinitrosohexahydro-1,3,5-triazine (1) and 3,7-dinitroso-1,3,5,7- tetrazabicyclo[3.3.1]nonane (2), were synthesized. It is shown that both compounds in vitro a 37 °C (1 h, pH 7.4) form nitric oxide at a rate of 3.1% (1) or 1.3% (2), respectively. In rats (60 mg/kg p.o.) both compound inhibit thrombus formation in arterioles (1: 20%; 2: 16%) and venules (1. 18%; 2. 9%). Compound 2 does not influence the blood pressure in spontaneously hypertensive rats.

Thermal Decomposition of Energetic Materials. 4. Deuterium Isotope Effects and Isotopic Scrambling (H/D, (13)C/(18)O, (14)N/(15)N) in Condensed-Phase Decomposition of 1,3,5-Trinitrohexahydro-s-triazine

The inter- vs intramolecular origin of the products formed in the thermal decomposition of 1,3,5-trinitrohexahydro-s-triazine (RDX) has been traced by isotopic crossover experiments using mixtures of differently labeled analogues of RDX.The isotopic analogues of RDX used in the experiments include (2)H, (13)C, (15)N, and (18)O.The fraction of isotopic scrambling and the extent of the deuterium kinetic isotope effect (DKIE) are reported for all the different decomposition products.Isotopic scrambling is not observed for the N-N bond in N2O and only in small amounts (7percent) in the C-H bonds in CH2O, consistent with a mechanism of their formation through methylene nitramine precursors.A product, oxy-s-triazine (OST, C3H3N3O) does not undergo isotopic scrambling in H/D, (14)N/(15)N, or (13)C/(18)O experiments, and its rate of formation exhibits a DKIE of 1.5.These results are consistent with the formation of OST via unimolecular decomposition of RDX.Another product, 1-nitroso-3,5-dinitrohexahydro-s-triazine (ONDNTA, C3H6N6O5) is found to be formed with complete scrambling of the N-NO bond, suggesting an N-N bond cleavage and a radical recombination process in its formation.One of the hydrogen containing products, H2O, exhibits a DKIE of 1.5 +/- 0.1.In contrast, CH2O and ONDNTA have DKIEs f 1.5 +/- 0.1 and 1.05 +/- 0.2, respectively, indicating that hydrogen transfer is not involved in the rate-limiting step of the reaction pathway leading to the formation of these products.