Cas no 1361607-99-9 (5,2',3',6'-Tetrachlorobiphenyl-2-carboxaldehyde)

5,2',3',6'-Tetrachlorobiphenyl-2-carboxaldehyde is a chlorinated biphenyl derivative featuring a formyl functional group at the 2-position and chlorine substituents at the 5, 2', 3', and 6' positions. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of polychlorinated biphenyl (PCB) analogs for research applications. Its well-defined structure and high purity make it suitable for studies involving environmental analysis, toxicology, and degradation pathways of PCBs. The presence of multiple chlorine atoms enhances its stability, while the aldehyde group provides a reactive site for further functionalization. Careful handling is required due to its potential environmental persistence and toxicity.
5,2',3',6'-Tetrachlorobiphenyl-2-carboxaldehyde structure
1361607-99-9 structure
Product Name:5,2',3',6'-Tetrachlorobiphenyl-2-carboxaldehyde
CAS No:1361607-99-9
MF:C13H6Cl4O
MW:319.998139858246
CID:4995770
Update Time:2025-06-07

5,2',3',6'-Tetrachlorobiphenyl-2-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5,2',3',6'-Tetrachlorobiphenyl-2-carboxaldehyde
    • Inchi: 1S/C13H6Cl4O/c14-8-2-1-7(6-18)9(5-8)12-10(15)3-4-11(16)13(12)17/h1-6H
    • InChI Key: FPIHDXNAHFHURV-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=C(C=1C1C=C(C=CC=1C=O)Cl)Cl)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 299
  • XLogP3: 5.4
  • Topological Polar Surface Area: 17.1

5,2',3',6'-Tetrachlorobiphenyl-2-carboxaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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