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CS-W001157 4
Total: USD 88.00

4,5-Difluoro-2-methylbenzonitrile

  • CAS No. 1003708-82-4

  • Cat. No. CS-0153307
  • Purity≥98%
  • MDL No.MFCD09996935

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

4,5-Difluoro-2-methylbenzonitrile|CS-0153307

Structure of 1003708-82-4

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General Information

  • CAS No. 1003708-82-4
  • Cat. No. CS-0153307
  • Purity ≥98%
  • MDL No. MFCD09996935
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂N
  • Molecular Weight None
  • Synonym(s) 4,5-Difluoro-2-methyl benzonitrile
  • SMILES CC1=CC(=C(C=C1C#N)F)F

Description

4,5-Difluoro-2-methylbenzonitrile features a trifunctional aromatic core with strategically positioned fluorine atoms and a methyl group, enabling precise tuning of electronic properties. The nitrile moiety provides a robust handle for downstream functionalization. This compound serves as a key intermediate in the synthesis of advanced pharmaceuticals and agrochemicals.

Application

4,5-Difluoro-2-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated aromatic scaffolds prevalent in pharmaceuticals. Its ortho-methyl and cyano groups provide strategic sites for downstream functionalization, while the difluoro substitution enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating efficient synthesis of complex heterocycles and bioactive molecules.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-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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