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5-二氨基-1
LANGMUIR · 2025 · IF 3.9

Mechanochemical Nitration Studies of Aminotriazole Compounds

Jie Zhou,Yang Zhao,Jiaheng Wang,Haoxiang Yang,Jingyue He,Lingzhi Ma,Bozhou Wang,Yatang Dai

In order to promote the green development of the nitration process of energy-containing materials and to reduce the environmental pollution and resource waste caused by the traditional nitration reaction. We used a solvent-free mechanochemical reaction to nitrify 3-amino-1,2,4-triazole and 3,5-diamino-1,2,4-triazole and successfully obtained 3-nitro-1,2,4-triazole and 3,5-dinitro-1,2,4-triazole by using sodium nitrite and molybdenum trioxide as catalysts. Several parameters affecting the nitration reaction were explored, and the structures of the products were analyzed by combining Gaussian, Multiwfn, and other computational software; also, single crystals of 3,5-dinitro-1,2,4-triazole sodium salt were cultivated and analyzed for their crystal structure and surface properties, and their copper and lead salts were obtained by reacting with metal salts. The present work provides a new idea for the development of green nitration of energy-containing materials.

研究领域: 化学工程 · 材料科学 · 环境科学
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HIGH PERFORMANCE POLYMERS · 2025 · IF 1.6

Synthesis of efficient fire resistant additive and its effect on transparent and mechanical properties

Xiao Han,Zhe Gao,Zipeng Wang,Ruidong Zheng,Rui Chen,Li Feng

An effective nitrogen-phosphorus synergetic flame-retardant additive was designed with nitrogen-rich 3,5-Diamino-1,2,4-triazole and DOPO. With the help of CCl4, CH2Cl2 and triethylamine, target product diamine-phosphaferrocene-oxide (DD) was successfully synthesized. Equipped with DD of 0.92 g, epoxy resin mould of 25 g succeeded in vertical combustion test with rating of UL-94 V-0. In respect of limiting oxygen index, the value of mould was improved to 32.5%. The introduction of DD also had a significant impact on other parameters during the combustion of EP. For instance, peak of heat release rate of EP/3.5%DD mould was 746 kW/m2, which was 70.2% of EP mould without flame retardants. Total heat release of EP/3.5%DD mould was also dramatically decreased. All these details demonstrated that DD performed effectively in test of fire resistance. Besides, mechanical strength of EP mould was also improved by DD, of which izod iMPact strength of EP/3.5%DD was dramatically increased to 33 kJm-2. Meanwhile, tensile strength and flexural strength of EP/3.5% DD was 99 MPa and 112 MPa, which was 119.2% and 128.7% of EP mould, respectively. In the end, SEM, IR, XPS and Raman was utilized to study the flame-retardant mode of DD.

研究领域: 高分子材料科学 · 阻燃化学 · 材料力学 · 分析化学 · 复合材料工程
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2015 · IF 2.679

A 2D nickel-based energetic MOFs incorporating 3,5-diamino-1,2,4-triazole and malonic acid: Synthesis, crystal structure and thermochemical study

Qi Yang,Xiaxia Song,Jing Ge,Guowei Zhao,Wendou Zhang,Gang Xie,Sanping Chen,Shengli Gao

A new energetic MOFs , {[Ni 2 (C 2 H 5 N 5 ) 2 (C 3 H 2 O 4 ) 2 (H 2 O)]·3H 2 O} n (Hdatrz (C 2 H 5 N 5 )   =   3,5-diamino-1,2,4-triazole, H 2 mal (C 3 H 4 O 4 )   =   malonic acid), has been synthesized and characterized by element analysis, chemical analysis, IR spectroscopy, single-crystal X-ray diffraction and thermal analysis. X-ray diffraction analysis confirmed that the compound featured a 2D layer structure with dinuclear Ni(II) unit. Thermal analysis demonstrated that the compound after dehydration have good thermostability with decomposition temperature up to 633   K. The non-isothermal kinetics for the compound was studied by Kissinger’s and Ozawa’s methods. The Arrhenius equation of initial thermal decomposition process of compound can be expressed as ln   k   =   55.89   −   332.01   ×   10 3 / RT . Furthermore, a reasonable thermochemical cycle was designed based on the preparation reaction of the compound, and standard molar enthalpy of dissolution of reactants and products were measured by RD496-2000 calorimeter. Finally, the standard molar enthalpy of formation of the compound was determined to be −(2766.3   ±   2.3)   kJ   ·   mol −1 in accordance with Hess’s law. In addition, the specific heat capacity of the compound at T   =   298.15   K was determined to be 1.42   ±   0.11   J   ·   K −1   ·   g −1 by RD496-2000 calorimeter.

研究领域: 材料科学 · 化学 · 热力学
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INDUSTRIAL CROPS AND PRODUCTS · 2025 · IF 6.2

Multi-functional densified wood laminates with hydrophobicity, anti-flammability, and thermal insulation for structural applications

Gang Tang,Cunlong Fu,Xuhao Zhen,Mengfan Guan,Xin Wang,Dan Deng,Xiuyu Liu

Wood materials have been basic building and structural materials for thousands of years, but because of their particular composition, the flammability and flame retardant modification of wood composites have attracted widespread attention. In this study, a new strategy was designed for flame retardant modification of commercial wood boards, and a series of wood samples were prepared with improved hydrophobic and flame retardant properties via delignification, impregnation of phytic acid (PA) and 3, 5-diamino-1,2,4-triazole (ATA-N), and surface hydrophobic modification of trimethoxymethylsilane. After impregnation with PA and ATA-N, the wood samples exhibited outstanding flame retardant properties, and the Wood@PA/ATA-N sample presented a limit oxygen index (LOI) of more than 80 % and a UL-94 V-0 rating. In addition, the peak heat release rate (PHRR), total heat release (THR) and total smoke production (TSP) of Wood@PA were 92.0 %, 68.0 % and 63.0 % lower than those of the untreated wood. Moreover, surface treatment with organosilane significantly improved the hydrophobicity of the wood surface, and the water contact angle of the surface for Wood@PA/ATA-N/MTMS reached 93.4°, indicating a highly hydrophobicity. In conclusion, the strategies of delignification, flame retardant impregnation and surface modification could significantly improve the flame retardancy and hydrophobic properties of wood samples, thereby increasing their useful life and application value in construction and structural materials.

研究领域: 材料科学 · 高分子科学 · 消防安全工程 · 表面工程
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POLYMER DEGRADATION AND STABILITY · 2025 · IF 7.4

Achieving fire safety in bio-based polyamide 510/6/DT with ultra-efficient reactive flame retardants

Xintao Ma,Haoyu Yang,Xiaoqi Zhang,Jing Xia,Chenglin Wang,Dongying Gong,Na Lin,Zihao Liu,Hao Liu,Suqin He,Miaoming Huang,Wanlin Xu,Wentao Liu,Chengshen Zhu

The escalating complexity of industrial applications, coupled with the growing imperative for energy efficiency and environmental safety, highlights the need for the development of multifunctional, bio-based polyamide materials. In this work, we report the synthesis of a novel bio-based polyamide (PA510/6/DT), characterized by exceptional flame retardancy, high transparency, and superior UV resistance. This material is synthesized via the copolymerization of bio-based pentylenediamine, sebacic acid, caprolactam, and 3,5-diamino-1,2,4-triazole (DT), DT acts as an ultra-efficient flame retardant and endowing PA510/6/DT with powerful flame-retardant properties. The resultant PA510/6/DT demonstrates a V-0 rating in the UL 94 test and exhibits significantly reduced smoke production upon combustion, ensuring enhanced fire safety. Notably, the incorporation of DT not only preserves the inherent mechanical integrity of the polyamide matrix but also imparts excellent UV shielding and maintains high transparency, addressing compatibility challenges commonly encountered with traditional flame retardants. Non-isoconversional kinetic analysis reveals that pyrolysis follows an interfacial reaction-controlled mechanism (R3 contracting sphere model), validated by high activation energies and char-layer formation. Furthermore, PA510/6/DT exhibits remarkable mechanical strength and exceptional thermal stability, making it a promising candidate for high-performance applications in fields requiring concurrent flame retardancy, optical clarity, UV protection, and environmental sustainability.

研究领域: 高分子科学 · 材料工程 · 消防安全工程 · 化学合成 · 热分析
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Materials Today Chemistry · 2023 · IF 7.3

Hg2+ removal from wastewater by anchoring nitrogen/sulfur active center onto metal-organic framework via Schiff-base reaction: Synthesis, characterization, and experiment

W. Ruan,H. Wu,H. Yang

Remediation of Hg 2+ pollution in wastewater is imminent. Herein, a Metal-Organic Framework hybrid Uio-DBD-x was designed and synthesized via rational introducing the 5-Diamino-1,4-benzenedithiol Dihydrochloride (DBD) molecule onto parent Uio-66-NH 2 . By optimizing the synthesis conditions, the material exhibited better adsorption performance when x = 1. The characteristics including crystallinity, morphology, and pore size were analyzed. 12.64 nm for pore diameter and 493.73 m 2 /g for surface areas of Uio-DBD-1 were obtained. Subsequently, the adsorption performance of Uio-DBD-1 towards Hg 2+ was studied under different pH, dosage, concentration, and time. The corresponding maximum adsorption capacity of 423.10 mg/g and equilibrium time of 10 min was achieved. Remarkably, Hg 2+ concentration could be reduced below the emission limit (0.05 mg/L). Furthermore, the selectivity and reusability of the adsorbent were investigated, and the results manifested that Uio-DBD-1 maintains high removal efficiency (82.10%) after 6 times recycles. The possible adsorption mechanism could be ascribed to the strong interaction (chelation, proton exchange, and coordination) between Hg 2+ and –NH 2 /-SH groups. This work breaks new ground in functional material design and paves the way for wastewater treatment.

CAS / MDL: 68-12-2 10026-11-6
研究领域: 环境科学 · 材料科学 · 化学工程 · 水处理
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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

Surface modification of core–shell structured ZIF-67@Cobalt coordination compound to improve the fire safety of biomass aerogel insulation materials

Jie Yang,Ao Zhang,Yuxin Chen,Linsheng Wang,Meixian Li,Hongyu Yang,Yanbei Hou

Biomass materials are considered to be excellent candidates to replace petroleum-based materials, but inherent flammability limits their applications. In this work, biomass aerogel (BA) was prepared by freeze-drying method from sodium alginate (SA) and polyvinyl alcohol (PVA). To improve fire safety of BAs, a core–shell structured ZIF-67@Cobalt coordination compound was successfully synthesized, which was surface functionalized by 3,5-diamino-1,2,4-triazole and 9,10-dihydro-9-oxo-10-phospho-diphenyl-10-oxide (DOPO), named as DOPO-NH 2 -ZIF-67. The addition of DOPO-NH 2- ZIF-67 (2 wt%) outstandingly improved fire safety of BA, in contrast to neat BA, peak heat release rate, peak smoke production rate, and total smoke production were reduced by 66.6%, 85.10%, and 72.76%, respectively. Furthermore, the incorporation of ZIF-67 and its derivatives has no adverse effect on the thermal insulation performance of BA composites and significantly improved their compressive strength from 0.27 MPa to 1.76 MPa. Preparation of core–shell structured ZIFs rich in active groups furnishes a conceivable way to synthesize an effective flame retardant, and a prospective method for the fabrication of aerogel insulation materials with green and economical additive-free technology is proposed.

CAS / MDL: 10026-22-9 1455-77-2
研究领域: 材料科学 · 化学工程 · 消防安全工程 · 可持续材料 · 复合材料
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