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CS-W001157 4
Total: USD 88.00

2-Amino-4-(trifluoromethyl)phenol

  • CAS No. 454-81-9

  • Cat. No. CS-W021552
  • Purity≥97%
  • MDL No.MFCD01731750

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

2-Amino-4-(trifluoromethyl)phenol|CS-W021552

Structure of 454-81-9

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General Information

  • CAS No. 454-81-9
  • Cat. No. CS-W021552
  • Purity ≥97%
  • MDL No. MFCD01731750
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃NO
  • Molecular Weight 177.12
  • Synonym(s) 3-AMINO-4-HYDROXYBENZOTRIFLUORIDE
  • SMILES NC1=C(O)C=CC(=C1)C(F)(F)F

Description

2-Amino-4-(trifluoromethyl)phenol features a strategically positioned trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the ortho-amino functionality enables direct coupling in pharmaceutical intermediates. This bench-stable compound integrates readily into heterocyclic systems under standard conditions, offering robust reactivity for advanced synthetic applications.

Application

2-Amino-4-(trifluoromethyl)phenol serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically relevant heterocyclic scaffolds. Its ortho-amino and phenolic functionalities offer complementary reactivity for electrophilic substitution, cyclization, and coupling reactions. The trifluoromethyl group enhances metabolic stability and modulates electronic properties, while the compound exhibits good bench stability and ease of purification—ideal for iterative synthesis campaigns in API development.

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

Quality Control

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Computational Chemistry Data

  • TPSA   46.25
  • LogP   1.9932
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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