Category: 84406-63-3

Vereshchagin, L. I. published the artcileSynthesis of polynuclear heterocyclic polynitrogen systems based on cyanuric chloride and its derivatives, Formula: C2H2N4O2, the publication is Chemistry of Heterocyclic Compounds (New York, NY, United States) (2010), 46(2), 206-211, database is CAplus.

Polynuclear structures containing several heterocycles of various types were synthesized by the reaction of cyanuric chloride and its mono- and dichloro derivatives with triazoles and tetrazoles in the presence of bases.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C15H14Cl2S2, Formula: C2H2N4O2.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Shevelev, Svyatoslav A. published the artcileInteraction of NH-azoles with O-fluorosulfonyl-N,N-difluorohydroxylamine, Quality Control of 84406-63-3, the publication is Mendeleev Communications (1993), 14-15, database is CAplus.

O-Fluorosulfonyl-N,N-difluorohydroxylamine reacted with NH-azoles, pyrazoles, imidazoles and benzotriazole, in an alk. medium, affording the corresponding N-fluorosulfonylazoles, e.g., I (R = H, Cl, NO₂), and in certain cases also the products of their further reactions, N,N‘-sulfonylbisazoles, II (R = Cl, NO₂).

Mendeleev Communications published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C17H14F3N3O2S, Quality Control of 84406-63-3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Shevelev, S. A. published the artcileInteraction of NH-azoles with O-fluorosulfonyl-N,N-difluorohydroxylamine. Synthesis of N-fluorosulfonylazoles, Formula: C2H2N4O2, the publication is Izvestiya Akademi Nauk, Seriya Khimicheskaya (1992), 2419-30, database is CAplus.

FSO₂ONF₂ (I) reacts with anions of NH-azoles (imidazoles, pyrazoles, 1,2,3-triazoles) yielding the corresponding N-fluorosulfonylazoles from which sulfonylbisazoles are obtained. N-Fluorosulfonylation occurs at nitrogen atom which is farthest from the most electron-accepting substituent. Anions of nonaromatic NH-acids (imides, primary N-nitramines) can undergo N-fluorosulfonylation, however the yield is low (<5%) and the products are significantly less stable than N-fluorosulfonylazoles. N-Fluorosulfonylation occurs as nucleophilic substitution at the sulfur atom of I.

Izvestiya Akademi Nauk, Seriya Khimicheskaya published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C17H14F3N3O2S, Formula: C2H2N4O2.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Vereshchagin, L. I. published the artcileSynthesis of polynuclear heterocyclic polynitrogen systems based on cyanuric chloride and its derivatives, Formula: C2H2N4O2, the publication is Chemistry of Heterocyclic Compounds (New York, NY, United States) (2010), 46(2), 206-211, database is CAplus.

Polynuclear structures containing several heterocycles of various types were synthesized by the reaction of cyanuric chloride and its mono- and dichloro derivatives with triazoles and tetrazoles in the presence of bases.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C15H14Cl2S2, Formula: C2H2N4O2.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Keshavarz, Mohammad Hossein published the artcileNovel correlation for predicting impact sensitivity of nitroheterocyclic energetic molecules, HPLC of Formula: 84406-63-3, the publication is Journal of Hazardous Materials (2007), 141(3), 803-807, database is CAplus and MEDLINE.

A correlation is introduced for predicting impact sensitivity of a variety nitroheterocyclic mol. types, such as nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines. This approach is based on elemental composition and 2 structural parameters of C_aH_bN_cO_d nitroheterocyclic energetic compounds The results for mentioned compounds are compared with complex neural networks computations which use compositional and topol. descriptors. Root mean square (rms) of deviation of different nitroheterocyclic mols. including nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines are 58 and 71 cm for new correlation and neural networks computations methods, resp.

Journal of Hazardous Materials published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, HPLC of Formula: 84406-63-3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Golobokova, T. V. published the artcileSynthesis of N-(oxyran-2-ylmethyl)triazoles and -tetrazoles, SDS of cas: 84406-63-3, the publication is Russian Journal of Organic Chemistry (2015), 51(9), 1308-1312, database is CAplus.

The alkylation of 5-phenyl-1H-tetrazole and 4-nitro-2H-1,2,3-triazole with 1-chloro-2,3-epoxypropane and cycloaddition of 1-azido-3-chloropropan-2-ol to acetylenic dipolarophiles gave the corresponding N-(3-chloro-2-hydroxypropyl)azoles as intermediate products in the synthesis of N-(oxiran-2-ylmethyl)azoles.

Russian Journal of Organic Chemistry published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, SDS of cas: 84406-63-3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Kizhnyaev, V. N. published the artcileSynthesis of N-Vinyl-1,2,3-triazole Derivatives, SDS of cas: 84406-63-3, the publication is Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) (2002), 38(7), 1056-1059, database is CAplus.

Nitro-substituted N-vinyl-1,2,3-triazole derivatives were synthesized by the vinyl exchange reaction. The process was promoted by the catalytic system Hg(II) acetate-HO₂CCF₃. This system is universal, and it can be used in the synthesis of vinylazoles having two, three, and four N atoms in the ring.

Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, SDS of cas: 84406-63-3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Nichols, Charles M. published the artcileGas-Phase Acidities of Nitrated Azoles as Determined by the Extended Kinetic Method and Computations, Application In Synthesis of 84406-63-3, the publication is Journal of Physical Chemistry A (2015), 119(2), 395-402, database is CAplus and MEDLINE.

Making use of the extended kinetic method and the alternative method for data anal., we have exptl. determined ΔH°_acid (kcal/mol) for six mononitrated azole species (2-nitropyrrole = 337.0, 3-nitropyrrole = 335.8, 3-nitropyrazole = 330.5, 4-nitropyrazole = 329.5, 2-nitroimidazole = 327.4, and 4-nitroimidazole = 325.0). We report an absolute uncertainty of ±2.2 kcal/mol that arises from the uncertainties of the reference acids; the relative values are known within 0.4 kcal/mol. Combining these exptl. ΔH°_acid values with ΔS°_acid values calculated at the B3LYP/aug-cc-pVTZ level of theory, we report ΔG°_acid (kcal/mol) for the nitroazoles (2-nitropyrrole = 329.4, 3-nitropyrrole = 328.4, 3-nitropyrazole = 323.1, 4-nitropyrazole = 322.0, 2-nitroimidazole = 319.7, and 4-nitroimidazole = 317.6); the absolute uncertainties are ±2.4 kcal/mol. In addition to the exptl. studies, we have computationally investigated the gas-phase acidities and electron affinities of the azoles in this work, as well as higher-order aza- and dinitro-substituted azoles. We discuss trends in the stabilities of the deprotonated azoles based on aza substitution and nitro group placement. 4-Nitroimidazole has already found use as the anionic component in ionic liquids, and we propose that the addnl. nitrated azolate ions are potential candidates for the anionic component of ionic liquids

Journal of Physical Chemistry A published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Application In Synthesis of 84406-63-3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Gamezo, V. N. published the artcileTheoretical analysis of the effects of nitration of the explosive properties of triazoles: 4-nitro-2H-1,2,3-triazole and 4,5-dinitro-2H-1,2,3-triazole, Quality Control of 84406-63-3, the publication is Journal of Molecular Structure: THEOCHEM (1995), 337(2), 189-97, database is CAplus.

At the mol. level, the ground-state intrinsic energies of the C-NO₂ and N-N bonds and the excited-state bond polarities of the 4-nitro- and 4,5-dinitro-2H-1,2,3-triazoles were compared using their theor. optimized geometries. Their enthalpies of formation were calculated using a modified Xα approach; finally, their explosive characteristics were studied at the macroscopic level with the help of the thermodn. code of Kondrikov-Sumin. With respect to the planar mononitro derivative, the second nitration provokes: (1) a torsion of ∼30° of the two nitro groups, (2) a significantly decreased C-N bond dissociation energy, by ∼9 kcal/mol, together with a weakening of the N-N bonds, thus reducing thermal stability, (3) an increase of C-NO₂ and N-N bond polarities in the electronically excited states, correlated with a decreased shock sensitivity, and (4) an increase in gas-phase enthalpy of formation, from -25 kcal/mol (or -51 kcal/mol, estimated for the condensed phase) for the mononitro derivative to +65 kcal/mol (e.g., +50 kcal/mol) for the dinitro compound Using these enthalpy results and a Kondrikov-Sumin-like equation of state, one can describe the ideal velocity of detonation D_CJ as a function of the d. ρ₀ by D_CJ = 0.337 + 3.86ρ₀ ,and D_CJ = 2.246 + 3.61ρ₀ for the mononitro and dinitro derivatives, resp., thus giving the corresponding detonation velocities of 6.5 and 8.0 km/s for an assumed d. of 1.6 g/m³.

Journal of Molecular Structure: THEOCHEM published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Quality Control of 84406-63-3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Cho, Soo Gyeong published the artcileOptimization of neural networks architecture for impact sensitivity of energetic molecules, Recommanded Product: 4-Nitro-2H-1,2,3-triazole, the publication is Bulletin of the Korean Chemical Society (2005), 26(3), 399-408, database is CAplus.

Neural network (NN) studies were used to predict impact sensitivity of various explosive mols. A total of 234 explosive mols. were taken from a single database and 39 mol. descriptors were computed for each explosive mol. Optimization of NN architecture was done by examining 7 sets of mol. descriptors and varying the number of hidden neurons. To optimize NN architecture, 17 mol. descriptors were used, composed of compositional and topol. descriptors in an input layer, and 2 hidden neurons in a hidden layer.

Bulletin of the Korean Chemical Society published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Recommanded Product: 4-Nitro-2H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics