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CS-W001157 4
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4-Chloro-3-(trifluoromethoxy)aniline

  • CAS No. 97608-50-9

  • Cat. No. CS-W022144
  • Purity≥97%
  • MDL No.MFCD09832255

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

4-Chloro-3-(trifluoromethoxy)aniline|CS-W022144

Structure of 97608-50-9

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General Information

  • CAS No. 97608-50-9
  • Cat. No. CS-W022144
  • Purity ≥97%
  • MDL No. MFCD09832255
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClF₃NO
  • Molecular Weight 211.57
  • Synonym(s) 4-Chloro-3-(trifluoromethoxy)benzenamine
  • SMILES NC1=CC(OC(F)(F)F)=C(Cl)C=C1

Description

4-Chloro-3-(trifluoromethoxy)aniline features a trifluoromethoxy group that enhances electron-withdrawing character and metabolic stability, while the chlorine substituent provides a handle for further functionalization. This aniline derivative exhibits favorable solubility in common organic solvents and maintains bench-stable integrity under standard handling conditions.

Application

4-Chloro-3-(trifluoromethoxy)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation into heterocyclic scaffolds via standard coupling reactions. Its ortho-chloro group facilitates palladium-catalyzed cross-couplings, while the trifluoromethoxy substituent enhances metabolic stability and modulates lipophilicity. The compound exhibits good bench stability and is readily purified by recrystallization or column chromatography, supporting efficient integration into multi-step synthetic sequences.

Synthesis

  • Route1
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      87-65-0
    • ~%
    • In-stock
      4-Chloro-3-(trifluoromethoxy)aniline|CS-W022144
      97608-50-9

    References

    • Langlois, Bernard; Soula, Gerard Bulletin de la Societe Chimique de France, 1986 , # 6 p. 925 - 929
  • Route2

    References

    • Langlois, Bernard; Soula, Gerard Bulletin de la Societe Chimique de France, 1986 , # 6 p. 925 - 929
  • Route3
    • null|null
      97608-48-5
    • ~%
    • In-stock
      4-Chloro-3-(trifluoromethoxy)aniline|CS-W022144
      97608-50-9

    References

    • Langlois, Bernard; Soula, Gerard Bulletin de la Societe Chimique de France, 1986 , # 6 p. 925 - 929

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-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   35.25
  • LogP   2.8208
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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