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CS-W001157 4
Total: USD 88.00

2-Fluoro-6-methylbenzonitrile

  • CAS No. 198633-76-0

  • Cat. No. CS-W013355
  • Purity≥98%
  • MDL No.MFCD06660277

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

2-Fluoro-6-methylbenzonitrile|CS-W013355

Structure of 198633-76-0

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General Information

  • CAS No. 198633-76-0
  • Cat. No. CS-W013355
  • Purity ≥98%
  • MDL No. MFCD06660277
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FN
  • Molecular Weight 135.14
  • Synonym(s) 2-Cyano-3-fluorotoluene
  • SMILES N#CC1=C(C)C=CC=C1F

Description

2-Fluoro-6-methylbenzonitrile features a fluorinated aromatic ring with complementary methyl and nitrile substituents, enabling selective functionalization in pharmaceutical synthesis. This electron-deficient aryl building block offers enhanced reactivity in cross-coupling reactions and maintains stability under standard handling conditions.

Application

2-Fluoro-6-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds via standard coupling reactions. Its ortho-fluoro and methyl groups provide directed functionalization potential, while the nitrile group offers compatibility with nucleophilic additions and transition-metal-catalyzed transformations. Bench-stable and readily purified, it facilitates efficient access to diverse heterocyclic systems and API intermediates.

Synthesis

  • Route1

    References

    • Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6506747 B1, 2003 ;
  • Route2
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      557-21-1
    • In-stock
      1-Fluoro-2-iodo-3-methylbenzene|CS-W021322
      883502-14-5
    • ~%
    • In-stock
      2-Fluoro-6-methylbenzonitrile|CS-W013355
      198633-76-0

    References

    • WO2013/62892 A1, ; Page/Page column 39 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.0058
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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