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2-Chloro-6-methylbenzonitrile

  • CAS No. 6575-09-3

  • Cat. No. CS-0017712
  • Purity≥98%
  • MDL No.MFCD00001782

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

2-Chloro-6-methylbenzonitrile|CS-0017712

Structure of 6575-09-3

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General Information

  • CAS No. 6575-09-3
  • Cat. No. CS-0017712
  • Purity ≥98%
  • MDL No. MFCD00001782
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClN
  • Molecular Weight 151.59
  • Synonym(s) 1-Cyano-2-chloro-6-methylbenzene; 2-Chloro-6-methylbenzonitrile; 2-Cyano-3-chlorotoluene; 6-Chloro-2-methylbenzonitrile; NSC 80657; 2-Chlor-6-methyl-benzonitril
  • SMILES N#CC1=C(C)C=CC=C1Cl

Description

FT-IR spectrum of 2-chloro-6-methylbenzonitrile has been studied in the region 400-4000cm-1 by KBr pellet technique.

Application

2-Chloro-6-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the aromatic ring via Suzuki, Negishi, or Stille coupling reactions. The nitrile group facilitates downstream transformations to carboxylic acids, amides, or heterocycles, while the chloro and methyl substituents provide orthogonal reactivity and steric modulation. Bench-stable and readily purified by distillation, it functions efficiently in multi-step syntheses of pharmaceutical intermediates and agrochemical scaffolds.

Synthesis

  • Route1
    • null|null
      529-19-1
    • ~71%
    • In-stock
      2-Chloro-6-methylbenzonitrile|CS-0017712
      6575-09-3

    References

    • Journal of Organic Chemistry, , vol. 78, # 6 p. 2786 - 2791
  • Route2

    References

    • Journal of the Chemical Society, , vol. 119, p. 1460
  • Route3

    References

    • Journal of the Chemical Society, , vol. 119, p. 1460

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H311-H315-H319-H332
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.5201
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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