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CS-W001157 4
Total: USD 88.00

2,4,5,6-Tetrafluoroisophthalonitrile

  • CAS No. 2377-81-3

  • Cat. No. CS-W023223
  • Purity≥95%
  • MDL No.MFCD00013290

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

2,4,5,6-Tetrafluoroisophthalonitrile|CS-W023223

Structure of 2377-81-3

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General Information

  • CAS No. 2377-81-3
  • Cat. No. CS-W023223
  • Purity ≥95%
  • MDL No. MFCD00013290
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈F₄N₂
  • Molecular Weight 200.09
  • Synonym(s) Tetrafluoroisophthalonitrile
  • SMILES N#CC1=C(F)C(F)=C(F)C(C#N)=C1F

Description

2,4,5,6-Tetrafluoroisophthalonitrile features a highly electron-deficient aromatic core with four fluorine substituents strategically positioned to enhance reactivity in nucleophilic aromatic substitution. This configuration enables efficient coupling with amines and thiols under mild conditions, delivering functionalized intermediates for advanced materials and pharmaceuticals. The nitrile groups provide synthetic versatility, while the fluorinated ring imparts stability and favorable electronic properties.

Application

2,4,5,6-Tetrafluoroisophthalonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of fluorinated heterocycles and functionalized aromatic scaffolds. Its four fluorine substituents enhance electrophilicity at the ring positions, facilitating nucleophilic aromatic substitution reactions with broad functional group tolerance. The nitrile groups provide additional handles for downstream transformations, supporting applications in medicinal chemistry and materials science. The compound exhibits excellent bench stability and ease of purification, making it well-suited for scalable synthesis and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   1.98636
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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