2-[1,1'-Biphenyl]-4-yl-4-chloro-6-phenyl-1,3,5-triazine
[CAS# 1472062-94-4]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Triazines
• Name: 2-[1,1'-Biphenyl]-4-yl-4-chloro-6-phenyl-1,3,5-triazine
• Synonyms: 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• Molecular Formula: C₂₁H₁₄ClN₃
• Molecular Weight: 343.81
• CAS Registry Number: 1472062-94-4
• EC Number: 878-389-9
• SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)Cl

Properties

• Solubility: Insoluble (5.8E^-5 g/L) (25 ºC), Calc.^*
• Density: 1.241±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2015 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319
• Precautionary Statements: P264-P264+P265-P280-P302+P352-P305+P351+P338-P321-P332+P317-P337+P317-P362+P364

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2	H319
Skin irritation	Skin Irrit.	2	H315

Discovory and Applicatios

2-[1,1'-Biphenyl]-4-yl-4-chloro-6-phenyl-1,3,5-triazine is a notable chemical compound with applications spanning organic synthesis, material science, and pharmaceuticals. This compound features a triazine core substituted with both biphenyl and phenyl groups, and a chlorine atom, which contribute to its distinct chemical properties and utility.

The discovery of 2-[1,1'-Biphenyl]-4-yl-4-chloro-6-phenyl-1,3,5-triazine emerged from efforts to develop versatile intermediates for organic synthesis. The triazine ring, a six-membered heterocycle with three nitrogen atoms, is known for its stability and reactivity, making it an ideal scaffold for various chemical transformations. The introduction of substituents like biphenyl and phenyl groups, along with a chlorine atom, enhances the compound's potential as a building block for more complex structures.

In organic synthesis, this compound serves as an important intermediate in the preparation of various functionalized molecules. The chlorine atom on the triazine ring provides a reactive site for nucleophilic substitution reactions. This reactivity allows for the attachment of a variety of nucleophiles, leading to the formation of diverse derivatives. Such derivatives can be further used in the synthesis of pharmaceuticals, agrochemicals, and materials with tailored properties.

In material science, 2-[1,1'-Biphenyl]-4-yl-4-chloro-6-phenyl-1,3,5-triazine is used to develop advanced materials, particularly those with electronic or optical applications. The biphenyl and phenyl groups contribute to the compound's electronic properties, potentially enhancing its performance in organic light-emitting diodes (OLEDs), organic photovoltaics (OPVs), and other optoelectronic devices. The triazine core, known for its stability, helps in maintaining the structural integrity of these materials under operational conditions.

In pharmaceuticals, this compound is valuable as a precursor for the synthesis of biologically active molecules. The versatility of the triazine ring and the substituents allows for the creation of various analogs that may exhibit different biological activities. For instance, the compound can be modified to develop new drugs with improved efficacy or reduced side effects. Its role in drug discovery is facilitated by its ability to form stable complexes with biological targets or act as a scaffold for further chemical modifications.

The compound's chemical properties, including its ability to participate in nucleophilic substitution reactions and its stability as a triazine derivative, make it a useful tool in both synthetic and applied chemistry. Its utility extends to various fields, demonstrating the broad impact that such specialized chemical compounds can have across different scientific disciplines.

Overall, 2-[1,1'-Biphenyl]-4-yl-4-chloro-6-phenyl-1,3,5-triazine stands out as a valuable chemical substance with significant applications in organic synthesis, material science, and pharmaceuticals. Its discovery and utilization highlight its role as a versatile intermediate and material in advanced chemical processes and technological applications.