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CS-W001157 4
Total: USD 88.00

4,5-Difluoro-2-nitrotoluene

  • CAS No. 127371-50-0

  • Cat. No. CS-0030565
  • Purity≥98%
  • MDL No.MFCD04973772

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

4,5-Difluoro-2-nitrotoluene|CS-0030565

Structure of 127371-50-0

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General Information

  • CAS No. 127371-50-0
  • Cat. No. CS-0030565
  • Purity ≥98%
  • MDL No. MFCD04973772
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₂NO₂
  • Molecular Weight None
  • Synonym(s) 2-Nitro-4,5-difluorotoluene
  • SMILES O=[N+](C1=C(C)C=C(F)C(F)=C1)[O-]

Application

4,5-Difluoro-2-nitrotoluene serves as a valuable building block in medicinal chemistry, enabling the construction of fluorinated heterocyclic scaffolds through standard coupling and cyclization protocols. Its ortho-nitro and difluorophenyl substituents provide enhanced metabolic stability and modulate electronic properties, while the methyl group offers a handle for further functionalization. Bench-stable and compatible with common synthetic transformations, it facilitates efficient access to complex pharmacophores in drug discovery workflows.

Synthesis

  • Route1

    References

    • EP342849 A3, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.18142
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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