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CS-W001157 4
Total: USD 88.00

1,2,3-Trichloro-5-fluorobenzene

  • CAS No. 3107-21-9

  • Cat. No. CS-0060176
  • Molecule weight199.44
  • Purity≥98%
  • MDL No.None

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

1,2,3-Trichloro-5-fluorobenzene|CS-0060176

Structure of 3107-21-9

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General Information

  • CAS No. 3107-21-9
  • Cat. No. CS-0060176
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Cl₃F
  • Molecular Weight 199.44
  • Synonym(s) 3,4,5-trichlorofluorobenzene
  • SMILES C1=C(C=C(C(=C1Cl)Cl)Cl)F

Description

1,2,3-Trichloro-5-fluorobenzene features a highly electron-deficient aromatic core stabilized by orthogonal halogen substituents. This configuration enables selective coupling reactions in pharmaceutical synthesis and materials science. The molecule exhibits robust stability under standard reaction conditions, facilitating its use in multi-step transformations requiring precise regiocontrol.

Application

1,2,3-Trichloro-5-fluorobenzene serves as a versatile building block in heterocyclic synthesis and Suzuki-Miyaura coupling reactions. Its orthogonal halogen reactivity enables sequential functionalization, while the fluorine substituent enhances metabolic stability and modulates electronic properties. Bench-stable and compatible with standard cross-coupling conditions, it facilitates efficient access to substituted aryl scaffolds relevant to pharmaceutical development.

Synthesis

  • Route1

    References

    • Pavlath; Olah Acta Chimica Academiae Scientiarum Hungaricae, 1957 , vol. 10, p. 227,229

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.7859
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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