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CS-W001157 4
Total: USD 88.00

2-Chloro-4-(trifluoromethyl)aniline

  • CAS No. 39885-50-2

  • Cat. No. CS-W019542
  • Purity≥98%
  • MDL No.MFCD00042563

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

2-Chloro-4-(trifluoromethyl)aniline|CS-W019542

Structure of 39885-50-2

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General Information

  • CAS No. 39885-50-2
  • Cat. No. CS-W019542
  • Purity ≥98%
  • MDL No. MFCD00042563
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClF₃N
  • Molecular Weight 195.57
  • Synonym(s) 2-Chloro-4-trifluoromethylaniline
  • SMILES C1=C(C(F)(F)F)C=CC(=C1Cl)N

Description

2-Chloro-4-(trifluoromethyl)aniline features a trifluoromethyl group that imparts enhanced electron-withdrawing character and metabolic stability, while the ortho-chloro substituent enables directed functionalization. This combination delivers improved solubility in organic media and robust performance under standard bench conditions, making it a reliable intermediate for pharmaceutical and agrochemical synthesis.

Application

2-Chloro-4-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via palladium-catalyzed coupling reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the chloro substituent provides a reliable handle for further functionalization through cross-coupling or nucleophilic substitution. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthetic workflows.

Synthesis

  • Route1

    References

    • Gharda, Keki Hormusji Patent: US2013/30190 A1, 2013 ; Location in patent: Paragraph 0060 ;
  • Route2

    References

    • BAYER CROPSCIENCE S.A. Patent: WO2004/37766 A2, 2004 ; Location in patent: Page 4 ;
  • Route3

    References

    • Aventis CropScience, S.A. Patent: US6410737 B1, 2002 ; Location in patent: Page column 8 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311-H315-H319-H332-H335-H410
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.941
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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