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CS-W001157 4
Total: USD 88.00

3-Chlorobenzonitrile

  • CAS No. 766-84-7

  • Cat. No. CS-W011053
  • Purity≥97%
  • MDL No.MFCD00001798

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

3-Chlorobenzonitrile|CS-W011053

Structure of 766-84-7

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General Information

  • CAS No. 766-84-7
  • Cat. No. CS-W011053
  • Purity ≥97%
  • MDL No. MFCD00001798
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClN
  • Molecular Weight None
  • Synonym(s) m-Cyanochlorobenzene
  • SMILES N#CC1=CC=CC(Cl)=C1

Description

3-Chlorobenzonitrile features a chloro substituent at the meta position relative to a nitrile group, delivering enhanced electronic and steric control. This configuration supports efficient coupling reactions in pharmaceutical synthesis and enables selective functionalization in heterocyclic chemistry under standard conditions.

Application

3-Chlorobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic systems. Its ortho-chloro and nitrile groups provide orthogonal reactivity for subsequent transformations, including nucleophilic substitution, transition-metal-catalyzed coupling, and selective reduction. The compound exhibits good bench stability and is readily purified by distillation or recrystallization, facilitating integration into multi-step synthetic sequences.

Synthesis

  • Route1

    References

    • Kim, Jinho; Stahl, Shannon S. ACS Catalysis, 2013 , vol. 3, # 7 p. 1652 - 1656
  • Route2
    • 3-Chlorobenzaldehyde oxime|CS-1648378
      34158-71-9
    • ~81%
    • In-stock
      3-Chlorobenzonitrile|CS-W011053
      766-84-7

    References

    • Jasem, Yosef Al; Barkhad, Mohamed; Khazali, Mona Al; Butt, Hifsa Pervez; El-Khwass, Noha Ashraf; Azani, Mariam Al; Hindawi, Bassam Al; Thiemann, Thies Journal of Chemical Research, 2014 , vol. 38, # 2 p. 80 - 84
  • Route3

    References

    • Madhusudana Reddy; Pasha Chinese Chemical Letters, 2010 , vol. 21, # 9 p. 1025 - 1028

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H311-H315-H319-H335-H412
Precautionary Statements : P264-P270-P330-P405-P501

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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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