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Atomfair 4,6-Diphenylpyrimidine C16H12N2 CAS 3977-48-8

4,6-Diphenylpyrimidine (CAS No. 3977-48-8) is a high-purity organic compound with the molecular formula C16H12N2. This heterocyclic aromatic compound features a pyrimidine core substituted with phenyl groups at the 4 and 6 positions, making it a valuable building block in pharmaceutical, agrochemical, and materials science research. Its rigid structure and electron-rich aromatic system lend it utility in coordination chemistry, ligand design, and as a precursor for advanced organic synthesis. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with detailed analytical data (NMR, MS) available upon request. Supplied as a white to off-white crystalline powder, it is packaged under inert…

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Description

4,6-Diphenylpyrimidine (CAS No. 3977-48-8) is a high-purity organic compound with the molecular formula C16H12N2. This heterocyclic aromatic compound features a pyrimidine core substituted with phenyl groups at the 4 and 6 positions, making it a valuable building block in pharmaceutical, agrochemical, and materials science research. Its rigid structure and electron-rich aromatic system lend it utility in coordination chemistry, ligand design, and as a precursor for advanced organic synthesis.

Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with detailed analytical data (NMR, MS) available upon request. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to guarantee stability and longevity. Ideal for researchers developing novel catalysts, optoelectronic materials, or bioactive molecules.

Properties

  • CAS Number: 3977-48-8
  • Complexity: 217
  • IUPAC Name: 4,6-diphenylpyrimidine
  • InChI: InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14/h1-12H
  • InChI Key: BWRMZQGIDWILAU-UHFFFAOYSA-N
  • Exact Mass: 232.100048391
  • Molecular Formula: C16H12N2
  • Molecular Weight: 232.28
  • SMILES: C1=CC=C(C=C1)C2=CC(=NC=N2)C3=CC=CC=C3
  • Topological: 25.8
  • Monoisotopic Mass: 232.100048391
  • Solubility: 4.6 [ug/mL]
  • Synonyms: 4,6-diphenylpyrimidine, 3977-48-8, DTXSID70355817, DTXCID40306876, Pyrimidine, 4,6-diphenyl-, MFCD00234899, HMS2793G05, MLS001180458, SCHEMBL284286, SCHEMBL714570, SCHEMBL714571, SCHEMBL2909003, CHEMBL1726023, BWRMZQGIDWILAU-UHFFFAOYSA-N, AKOS037649151, SB60519, BS-16732, SMR000475730, SY257816, CS-0156445, D81079, AC-907/25005311

Application

4,6-Diphenylpyrimidine serves as a key intermediate in synthesizing pharmaceuticals targeting kinase inhibition due to its pyrimidine scaffold. In materials science, it acts as a ligand for transition metal complexes used in OLEDs and catalytic systems. Researchers also employ it to construct supramolecular architectures via π-π stacking interactions.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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