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CS-W001157 4
Total: USD 88.00

4-Chlorobenzonitrile

  • CAS No. 623-03-0

  • Cat. No. CS-W018544
  • Purity≥97%
  • MDL No.MFCD00001813

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

4-Chlorobenzonitrile|CS-W018544

Structure of 623-03-0

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General Information

  • CAS No. 623-03-0
  • Cat. No. CS-W018544
  • Purity ≥97%
  • MDL No. MFCD00001813
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClN
  • Molecular Weight 137.57
  • Synonym(s) 1-Chloro-4-benzonitrile; 1-Chloro-4-cyanobenzene; 1-Cyano-4-chlorobenzene; 4-chloro-benzonitril; 4-Chlorobenzonitrile
  • SMILES ClC1=CC=C(C#N)C=C1

Description

4-Chlorobenzonitrile has been used in the preparation of amides.

Application

4-Chlorobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic systems. Its dual reactivity—nitrile group for nucleophilic transformations and chloro substituent for palladium-catalyzed cross-coupling—facilitates rapid diversification. Bench-stable and readily purified by recrystallization, it functions effectively in standard synthetic workflows requiring orthogonal functional group handling.

Synthesis

  • Route1

    References

    • Coskun, Necdet Synthetic Communications, 2004 , vol. 34, # 9 p. 1625 - 1630
  • Route2

    References

    • Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo Synthesis (Germany), 2013 , vol. 45, # 15 art. no. SS-2013-F0311-OP, p. 2155 - 2164
  • Route3

    References

    • Sharghi, Hashem; Sarvari, Mona Hosseini Synthesis, 2003 , # 2 p. 243 - 246

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+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.21168
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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