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CS-W001157 4
Total: USD 88.00

2,4-Difluoro-3-methylbenzonitrile

  • CAS No. 847502-87-8

  • Cat. No. CS-W003421
  • Purity≥98%
  • MDL No.MFCD07777155

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

2,4-Difluoro-3-methylbenzonitrile|CS-W003421

Structure of 847502-87-8

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General Information

  • CAS No. 847502-87-8
  • Cat. No. CS-W003421
  • Purity ≥98%
  • MDL No. MFCD07777155
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂N
  • Molecular Weight 153.13
  • Synonym(s) 3-Cyano-2,6-difluorotoluene
  • SMILES CC1=C(F)C=CC(C#N)=C1F

Description

2,4-Difluoro-3-methylbenzonitrile features a trifunctional aromatic core with strategically positioned fluorine atoms and a methyl group that modulate electronic properties. The nitrile moiety provides a robust handle for downstream functionalization, while the electron-deficient ring enhances reactivity in cross-coupling processes. This bench-stable compound serves as a key building block in agrochemical and pharmaceutical synthesis.

Application

2,4-Difluoro-3-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated aromatic scaffolds via standard cross-coupling and electrophilic substitution reactions. Its regioselective substitution pattern and compatibility with palladium-catalyzed transformations facilitate efficient synthesis of complex heterocycles and API intermediates. The nitrile group provides a handle for downstream functionalization, while the methyl and difluoro substituents offer favorable electronic and steric profiles for target-directed design.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.1449
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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