Thermal Decomposition Mechanism of NTO

Author:

Botcher Tod R.,Beardall David J.,Wight Charles A.,Fan Leimin,Burkey Theodore J.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Reference23 articles.

1. The name for NTO currently used by Chemical Abstracts Service (CAS, Registry No. 932-64-9) is 1,2-dihydro-5-nitro-3H-1,2,4-triazol-3-one. Other commonly used names include 5-nitro-1,2,4-triazol-3-one, 3-nitro-1,2,4-triazol-5-one, and 2,4-dihydro-5-nitro-3H-1,2,4-triazol-3-one. The last of these describes the most stable structure (refs 2 and 4), which is a tautomer of the structure indicated by the official CAS name.

2. Structures and energies of the tautomers and conjugate bases of some 1,2,4-triazolones

3. The enthalpies of formation of 1,2,4-triazol-5-one and 3-nitro-1,2,4-triazol-5-one

4. 3-Nitro-1,2,4-triazol-5-one, a less sensitive explosive

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