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CS-W001157 4
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3-(Trifluoromethyl)aniline hydrochloride

  • CAS No. 2646-97-1

  • Cat. No. CS-0186725
  • Purity≥98%
  • MDL No.None

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

3-(Trifluoromethyl)aniline hydrochloride|CS-0186725

Structure of 2646-97-1

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General Information

  • CAS No. 2646-97-1
  • Cat. No. CS-0186725
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClF₃N
  • Molecular Weight 197.59
  • Synonym(s) NSC221148
  • SMILES C1=CC(=CC(=C1)N)C(F)(F)F.Cl

Description

3-(Trifluoromethyl)aniline hydrochloride offers a robust, bench-stable platform for constructing electron-deficient aromatic scaffolds. The trifluoromethyl group imparts strong inductive withdrawal and enhanced metabolic stability, while the protonated aniline moiety ensures excellent solubility in aqueous and polar organic media. This salt form facilitates handling and incorporation into synthetic sequences without decomposition.

Application

3-(Trifluoromethyl)aniline hydrochloride serves as a stable, bench-ready building block for the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the aniline functionality enables direct coupling reactions, electrophilic substitution, and amide formation under standard conditions. The hydrochloride salt improves solubility and handling, facilitating purification and integration into multi-step synthetic sequences.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.7094
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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