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CS-W001157 4
Total: USD 88.00

2,3,4,5,6-Pentachlorobenzonitrile

  • CAS No. 20925-85-3

  • Cat. No. CS-0186479
  • Purity≥98%
  • MDL No.None

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

2,3,4,5,6-Pentachlorobenzonitrile|CS-0186479

Structure of 20925-85-3

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General Information

  • CAS No. 20925-85-3
  • Cat. No. CS-0186479
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇Cl₅N
  • Molecular Weight 275.35
  • Synonym(s) Perchlorobenzonitrile
  • SMILES C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

Description

2,3,4,5,6-Pentachlorobenzonitrile features a fully chlorinated aromatic ring paired with a nitrile group, delivering high electron deficiency and stability under standard conditions. This robust scaffold enables direct incorporation into synthetic sequences requiring strong electrophilic character or halogenation handles for cross-coupling applications.

Application

2,3,4,5,6-Pentachlorobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of highly substituted aromatic systems. Its five chlorines provide orthogonal reactivity for sequential cross-coupling or nucleophilic substitution, while the nitrile group offers a handle for further functionalization. The compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for applications in medicinal chemistry and materials science.

Synthesis

  • Route1
    • In-stock
      Pentachloroaniline|CS-0187741
      527-20-8
    • ~48%
    • In-stock
      2,3,4,5,6-Pentachlorobenzonitrile|CS-0186479
      20925-85-3
    • null|null
      608-93-5
    • null|null
      118-74-1
    • null|null
      82-68-8

    References

    • Tetrahedron, , vol. 52, # 20 p. 7137 - 7148
  • Route2
    • In-stock
      Pentachloroaniline|CS-0187741
      527-20-8
    • null|null
      544-92-3
    • ~48%
    • In-stock
      2,3,4,5,6-Pentachlorobenzonitrile|CS-0186479
      20925-85-3
    • null|null
      608-93-5
    • null|null
      118-74-1
    • null|null
      82-68-8

    References

    • Tetrahedron, , vol. 52, # 20 p. 7137 - 7148
  • Route3
    • null|null
      100-47-0
    • ~%
    • In-stock
      2,3,4,5,6-Pentachlorobenzonitrile|CS-0186479
      20925-85-3

    References

    • Chemische Berichte, , vol. 16, p. 2885

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   4.82528
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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