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3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole is a triazole derivative chemical compound with the molecular formula C7H4F3N3. It features a trifluoromethyl group and a pyridyl group, which contribute to its unique chemical properties and potential biological activities. 3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole has garnered interest in the fields of chemical and pharmaceutical research due to its insecticidal and fungicidal properties.

219508-27-7

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219508-27-7 Usage

Uses

Used in Agricultural Applications:
3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole is used as an insecticide for controlling various pests that affect crops. Its insecticidal properties make it a potential candidate for the development of new pesticides, enhancing crop protection and yield.
Used in Pharmaceutical Applications:
3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole is used as an antifungal agent for the treatment of various fungal infections. Its fungicidal properties offer a promising avenue for the development of new therapeutic agents to combat fungal diseases.
Used in Chemical Research:
3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole serves as a subject of interest in chemical research due to its unique chemical structure and potential for further exploration of its biological activities. This may lead to the discovery of new applications and advancements in related fields.

Check Digit Verification of cas no

The CAS Registry Mumber 219508-27-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,9,5,0 and 8 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 219508-27:
(8*2)+(7*1)+(6*9)+(5*5)+(4*0)+(3*8)+(2*2)+(1*7)=137
137 % 10 = 7
So 219508-27-7 is a valid CAS Registry Number.

219508-27-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

1.2 Other means of identification

Product number -
Other names Pyridine,2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:219508-27-7 SDS

219508-27-7Relevant academic research and scientific papers

Blue-emitting Ir(III) complexes using fluorinated bipyridyl as main ligand and 1,2,4-triazol as ancillary ligand: syntheses, photophysical properties and performances in devices

Sun, Peng,Wang, Kexiang,Zhao, Bo,Yang, Tingting,Xu, Huixia,Miao, Yanqin,Wang, Hua,Xu, Bingshe

, p. 8335 - 8341 (2016)

The blue-light-emitting Ir(III) complexes using 2-(3-(trifluoromethyl) -1H-1,2,4-triazol-5-yl)pyridine and fluorinated 2-phenylpyridine as ligands were synthesized and characterized in details. Their molecular structures were confirmed by1H NMR

Os(II) phosphors with near-infrared emission induced by ligand-to-ligand charge transfer transition

Liao, Jia-Ling,Chi, Yun,Liu, Shih-Hung,Lee, Gene-Hsiang,Chou, Pi-Tai,Huang, Hao-Xiang,Su, Yu-De,Chang, Chih-Hao,Lin, Jin-Sheng,Tseng, Meu-Rurng

, p. 9366 - 9374 (2014)

Heating of Os3(CO)12 with 6 equiv of 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl) pyridine (fptzH) in refluxing diethylene glycol monomethyl ether, followed by sequential treatment with stoichiometric Me3NO and addition of PPhMe2, afforded two isomeric mixtures of red-emitting [Os(fptz)2(PPhMe2) 2] (1T and 1C), for which the notations T and C stand for the trans and cis-oriented fptz chelates, respectively. Alternatively, preparation of Os(II) complex using a 1:1 mixture of 5,5′-di(trifluoromethyl)-3,3′- di-1,2,4-triazole (dttzH2) and 2,2′-bipyridine (bpy), instead of fptzH, gave isolation of a mononuclear Os(II) complex [Os(bpy)(dttz)(CO) 2] (2) in moderate yield. Replacement of CO with PPhMe2 on 2 afforded near-infrared (NIR)-emitting Os(II) complex [Os(bpy)(dttz) (PPhMe2)2] (3). The single-crystal X-ray structural analyses were executed on 1C, 2, and 3 to reveal the structural influence imposed by the various chelates. The photophysical and electrochemical properties were measured and discussed using the results of density functional theory (DFT) and time-dependent DFT calculations. Complex 3 is selected as the dopant to probe its electroluminescent properties by fabrication of the NIR emitting organic light-emitting diodes.

Rational design and characterization of heteroleptic phosphorescent iridium(iii) complexes for highly efficient deep-blue OLEDs

Feng, Yansong,Zhuang, Xuming,Zhu, Dongxia,Liu, Yu,Wang, Yue,Bryce, Martin R.

, p. 10246 - 10252 (2016)

Two new deep-blue iridium(iii) complexes, (dfpypy)2IrFptz (Ir1) and (Medfpypy)2IrFptz (Ir2), comprising difluoro-bipyridyl (dfpypy) derivatives as cyclometaling ligands and a chelated pyridyl-triazole (Fptz) ancillary ligand are reported. The bipyridyl ligands lead to a significantly increased HOMO-LUMO gap and a hypsochromic shift of the phosphorescence compared to phenylpyridyl analogs. Density function theory (DFT) calculations and electrochemical measurements for Ir1 and Ir2 support their genuine blue phosphorescent emission. The combination of ancillary and cyclometalating ligands in Ir1 and Ir2 significantly influences the molecular orbitals of both complexes, leading to clearly distinct electron density distributions of the HOMO and LUMO compared with other blue-emitting Ir(iii) derivatives. Both complexes Ir1 and Ir2 show deep-blue emission with λmax values in the region of 435-465 nm with high PLQYs and short excited-state lifetimes. The phosphorescent organic light emitting diodes (PhOLEDs) based on Ir1 and Ir2 achieve remarkably high EL performance with low efficiency roll-off at high luminance. The bluest color (CIEx,y 0.14, 0.11) and the highest EL efficiency were achieved in the device based on Ir2 (Device 2), where the peak EQE/PE of 13.0%/11.2 lm W-1 together with the corresponding values of 12.6%/8.8 lm W-1 and 10.1%/5.0 lm W-1 at the practical luminances of 100 and 1000 cd m-2 respectively, strongly compete with those of any deep-blue fluorescent and/or phosphorescent OLEDs with similar CIE coordinates previously reported.

N - hexyl carbazole substituted phenyl and [...] (III) complex and its preparation

-

Paragraph 0092-0096, (2020/02/07)

The invention discloses an N-hexyl carbazole substituted phenyl benzothiazole iridium (III) complex. The complex has a structure represented in a general structural formula (I). The complex emits organic yellow light, has double polarity and better solubility, and can be taken as a phosphorescent luminescence material for preparation of an organic light-emitting device with a wet method.

METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS

-

, (2016/10/08)

The present invention relates inter alia to a new class of heteroleptic metal complexes comprising condensed aromatic heterocyclic rings, their preparation and use.

Synthesis and characterization of blue-to-green electrophosphorescence emitter based on pyrazole iridium complexes

Huixia, Xu,Yan, Yue,Litao, Qu,Yuying, Hao,Hua, Wang,Liuqing, Chen,Bingshe, Xu

, p. 67 - 73 (2013/10/21)

To overcome the roll-off efficiency of electrophosphorescent organic light-emitting devices, Ir(III) complexes of (ppz)2Ir(N?N) were synthesized and named for (ppz)2Ir(tfmpptz), (ppz) 2Ir(fpptz), (ppz)2Ir(tfmptz) and (ppz)2Ir(pybi) (ppz: 1-phenylpyrazolato; N?N: N, N′-heteroaromatic). Their molecular structures, photophysical properties and cyclic voltammetric data were reported. The crystals of (ppz)2Ir(tfmpptz), (ppz) 2Ir(fpptz) are monoclinic, space group P2(1)/n, and (ppz) 2Ir(tfmptz) is triclinic, space group P-1. The emission maximum peaks of (ppz)2Ir(tfmpptz), (ppz)2Ir(fpptz), (ppz) 2Ir(tfmptz) and (ppz)2Ir(pybi) at room temperature appear at 486, 497, 473 and 530 nm, respectively. The devices with architecture of ITO/NPB (30 nm)/CBP: (ppz)2Ir(N?N) (6%, 30 nm)/BAlq(10 nm)/Alq3(30 nm)/LiF(1 nm)/Al (100 nm) were fabricated by thermal evaporation. The results indicate that the larger steric hindrance of ancillary ligands efficiently suppressed the roll-off of efficiency at high current density.

Rational design, synthesis, and characterization of deep blue phosphorescent Ir(III) complexes containing (4′-Substituted-2′- pyridyl)-1,2,4-triazole ancillary ligands

Park, Hea Jung,Kim, Ji Na,Yoo, Hyun-Ji,Wee, Kyung-Ryang,Kang, Sang Ook,Cho, Dae Won,Yoon, Ung Chan

, p. 8054 - 8064 (2013/09/12)

On the basis of the results of frontier orbital considerations, 4-substituted-2′-pyridyltriazoles were designed to serve as ancillary ligands in 2-phenylpyridine main ligand containing heteroleptic iridium(III) complexes that display deep blue phosphorescence emission. The iridium(III) complexes, Ir1-Ir7, prepared using the new ancillary ligands, were found to display structured, highly quantum efficient (Φp = 0.20-0.42) phosphorescence with emission maxima in the blue to deep blue 448-456 nm at room temperature. In accord with predictions based on frontier orbital considerations, the complexes were observed to have emission properties that are dependent on the electronic nature of substituents at the C-4 position of the pyridine moiety of the ancillary ligand. Importantly, placement of an electron-donating methyl group at C-4′ of the pyridine ring of the 5-(pyridine-2′-yl)-3-trifluoromethyl-1,2,4-triazole ancillary ligand leads to an iridium(III) complex that displays a deep blue phosphorescence emission maximum at 448 nm in both the liquid and film states at room temperature. Finally, an OLED device, constructed using an Ir-complex containing the optimized ancillary ligand as the dopant, was found to emit deep blue color with a CIE of 0.15, 0.18, which is close to the perfect goal of 0.15, 0.15.

Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand

-

, (2012/02/06)

An Ir complex having a pyridyl triazole ligand substituted with at least one substituent on its pyridyl ring, and a light emitting material comprising such Ir complex. Such light emitting material was found to have a significantly enhanced photophosphorescence quantum yield and hypsochromic blue shifted photophosphorescent emission over other Ir complexes with a pyridyl triazole ligand having no substituent in its pyridine ring. Use of such light emitting material and an organic light emitting device including the same.

LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX

-

, (2010/06/19)

An iridium complex is disclosed, which has a structure represented by the following formula (I): wherein each of Z1 and Z3 represents an atomic group for forming a nitrogen-containing heteroaryl group or a nitrogen-containing heterocycloalkenyl group; Z2 represents an atomic group for forming an aryl group, a heteroaryl group, a cycloalkenyl group or a heterocycloalkenyl group; Y represents an atomic group for forming a 5-membered nitrogen-containing heterocycloalkenyl group; each of R1, R2, R3 and R4 represents a hydrogen atom or a substituent; m is 1 or 2; a, b and d is 0 or any positive integer; and c is an integer of from 0 to 2.

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