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CS-W001157 4
Total: USD 88.00

1-Benzyl-4-chlorobenzene

  • CAS No. 831-81-2

  • Cat. No. CS-W015489
  • Purity≥97%
  • MDL No.MFCD00094070

*For research and further manufacturing use only, not for direct human use.

1-Benzyl-4-chlorobenzene|CS-W015489

Structure of 831-81-2

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General Information

  • CAS No. 831-81-2
  • Cat. No. CS-W015489
  • Purity ≥97%
  • MDL No. MFCD00094070
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁Cl
  • Molecular Weight 202.68
  • Synonym(s) p-chlorodiphenylmethane
  • SMILES ClC1=CC=C(CC2=CC=CC=C2)C=C1

Description

1-Benzyl-4-chlorobenzene features a para-chlorinated aromatic ring linked to a benzyl group, delivering enhanced stability and solubility in organic media. This structural motif enables efficient incorporation into pharmaceutical intermediates and functional materials, particularly where halogen-directed coupling reactions are required.

Application

1-Benzyl-4-chlorobenzene serves as a versatile aryl building block in synthetic organic chemistry, enabling efficient functionalization via palladium-catalyzed cross-coupling reactions. Its bench-stable nature and tolerance to diverse reaction conditions facilitate straightforward incorporation into complex molecular architectures, including pharmaceutical intermediates and functional materials.

Synthesis

  • Route1
    • Cetirizine impurity 2|CS-0214017
      134-85-0
    • ~98%
    • In-stock
      1-Benzyl-4-chlorobenzene|CS-W015489
      831-81-2

    References

    • Organic Letters, , vol. 16, # 7 p. 2000 - 2002
  • Route2
    • null|null
      104-83-6
    • In-stock
      Phenylboronic acid|CS-W001090
      98-80-6
    • ~93%
    • In-stock
      1-Benzyl-4-chlorobenzene|CS-W015489
      831-81-2

    References

    • Tetrahedron Letters, , vol. 45, # 44 p. 8225 - 8228
  • Route3

    References

    • Journal of Chemical Research, , vol. 37, # 6 p. 375 - 376

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.9308
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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