307929-32-4

Basic information

• Product Name: 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine
• Synonyms: 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine
• CAS NO: 307929-32-4
• Molecular Formula: C21H14ClN3
• Molecular Weight: 343.80896
• Mol File: 307929-32-4.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 571.0±52.0 °C(Predicted)
• Appearance: /
• Density: 1.241
• PKA: 0.48±0.10(Predicted)
• CAS DataBase Reference: 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine(307929-32-4)
• EPA Substance Registry System: 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine(307929-32-4)

Safety Data

• Hazardous Substances Data: 307929-32-4(Hazardous Substances Data)

Usage

General Description

2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine is a chemical compound that belongs to the class of triazine derivatives. It is a white to slightly yellow crystalline powder with a molecular formula C21H14ClN3. 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine is widely used in agriculture as an herbicide to control the growth of weeds in crops. It works by inhibiting photosynthesis in the targeted plants, leading to their eventual death. Additionally, it has also shown potential as a promising compound in the field of medicinal chemistry, with studies suggesting its possible use as an antitumor agent and in the treatment of various diseases. However, it is important to handle this chemical with care as it can be harmful if ingested, inhaled, or comes into contact with the skin or eyes.

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Relevant articles and documents

Triazine electron transport material as well as preparation method and application thereof

The invention discloses a triazine electron transport material as well as a preparation method and application thereof, and relates to the technical field of organic photoelectric materials. The structural formula of the triazine electron transport material is shown in the specification, the electron transport material has high electron injection and movement rates, and when an electron transport layer prepared from the compound is used in an organic electroluminescent device, the electron transport efficiency from the electron transport layer to a luminescent layer is improved, so that the luminous efficiency is improved; and the organic electroluminescent device also has the advantages of low driving voltage, good durability and the like.

An alternatively metal-free synthesis of 1,3,5-triazines or 1,2,4-thiadiazoles from benzyl chlorides and benzylamines mediated by elemental sulfur

An elemental sulfur mediated reaction of benzyl chlorides with benzylamines is developed, which allows the practical synthesis of valuable 1,3,5-triazines. This protocol that is metal free, ligand free, and uses inexpensive elemental sulfur as oxidant or raw material displays mild reaction conditions, a broad substrate scope and moderate to good yields. Moreover, the modified sulfur-mediated reaction system can also be used to synthesize 1,2,4-thiadiazoles, by simply switching the stoichiometry of sulfur powder from 0.75 equivalents to 5 equivalents.

Synthesis, Spectra, and Theoretical Investigations of 1,3,5-Triazines Compounds as Ultraviolet Rays Absorber Based on Time-Dependent Density Functional Calculations and three-Dimensional Quantitative Structure-Property Relationship

A series of 1,3,5-triazines were synthesized and their UV absorption properties were tested. The computational chemistry methods were used to construct quantitative structure-property relationship (QSPR), which was used to computer aided design of new 1,3,5-triazines ultraviolet rays absorber compounds. The experimental UV absorption data are in good agreement with those predicted data using the Time-dependent density functional theory (TD-DFT) [B3LYP/6–311 + G(d,p)]. A suitable forecasting model (R > 0.8, P 0.0001) was revealed. Predictive three-dimensional quantitative structure-property relationship (3D-QSPR) model was established using multifit molecular alignment rule of Sybyl program, which conclusion is consistent with the TD-DFT calculation. The exceptional photostability mechanism of such ultraviolet rays absorber compounds was studied and confirmed as principally banked upon their ability to undergo excited-state deactivation via an ultrafast excited-state proton transfer (ESIPT). The intramolecular hydrogen bond (IMHB) of 1,3,5-triazines compounds is the basis for the excited state proton transfer, which was explored by IR spectroscopy, UV spectra, structural and energetic aspects of different conformers and frontier molecular orbitals analysis.