Description

2-Chloro-4,6-diphenyl-1,3,5-triazine (CAS No. 3842-55-5) is a high-purity chlorinated triazine derivative with the molecular formula C₁₅H₁₀ClN₃. This heterocyclic compound features a central 1,3,5-triazine ring substituted with two phenyl groups at the 4- and 6-positions and a reactive chlorine atom at the 2-position, making it a versatile intermediate for nucleophilic aromatic substitution reactions. With a molecular weight of 261.72 g/mol, it is supplied as a crystalline solid with ≥95% purity (HPLC), ideal for pharmaceutical synthesis, materials science, and coordination chemistry applications. Its structural rigidity and electron-deficient triazine core enable applications in supramolecular chemistry, ligand design, and as a building block for covalent organic frameworks (COFs). Packaged under inert gas to ensure stability, this compound is stored in amber glass vials to prevent photodegradation.

Properties

• CAS Number: 3842-55-5
• Complexity: 249
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine
• InChI: InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H
• InChI Key: DDGPPAMADXTGTN-UHFFFAOYSA-N
• Exact Mass: 267.0563250
• Molecular Formula: C15H10ClN3
• Molecular Weight: 267.71
• SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=CC=C3
• Topological: 38.7
• Monoisotopic Mass: 267.0563250
• Synonyms: 2-Chloro-4,6-diphenyl-1,3,5-triazine, 3842-55-5, 1,3,5-Triazine, 2-chloro-4,6-diphenyl-, DTXSID00274643, DTXCID60226108, 805-579-0, inchi=1/c15h10cln3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10, MFCD05738885, Diphenyl chloro-s-triazine, 4,6-diphenyl-2-chloro-s-triazine, NSC231670, SCHEMBL106948, 2-chloro4,6-diphenyl-s-triazine, AKOS005145539, S-Triazine, 2-chloro-4,6-diphenyl-, CS-W010111, DS-1844, FC30518, NSC 231670, NSC-231670, 1,5-Triazine, 2-chloro-4,6-diphenyl-, DA-06264, SY034708, 1,3,5-riazine, 2-hloro-4,6-iphenyl-, 2-chloro-4,6-bisphenyl-1,3,5-triazine, 2-chloro-4,6-diphenyl-[1,3,5]triazine, 2-CHLORO-4,6-DIPHENYL-S-TRIAZINE, 2-chloro-[4,6-bisphenyl]-1,3,5-triazine, 2-Chloro-4,6-diphenyl-1,3,5-triazine #, C2703

Application

2-Chloro-4,6-diphenyl-1,3,5-triazine serves as a key precursor for synthesizing functionalized triazine derivatives via nucleophilic displacement of the chlorine atom, enabling the development of ligands for transition-metal catalysis. It is employed in the construction of photoactive materials and electron-accepting moieties in organic electronics, such as non-fullerene acceptors for photovoltaic devices. Researchers also utilize it to prepare covalent triazine-based polymers (CTFs) for gas storage or heterogeneous catalysis due to its robust thermal and chemical stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

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