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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)phenol

  • CAS No. 98-17-9

  • Cat. No. CS-W010869
  • Purity≥98%
  • MDL No.MFCD00002299

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

3-(Trifluoromethyl)phenol|CS-W010869

Structure of 98-17-9

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General Information

  • CAS No. 98-17-9
  • Cat. No. CS-W010869
  • Purity ≥98%
  • MDL No. MFCD00002299
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃O
  • Molecular Weight 162.11
  • Synonym(s) α,α,α-Trifluoro-m-cresol
  • SMILES OC1=CC=CC(C(F)(F)F)=C1

Description

3-(Trifluoromethyl)phenol (3-Hydroxybenzotrifluoride) was used in the preparation of travoprost (antiglaucoma agent).

Application

3-(Trifluoromethyl)phenol serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering a strategically positioned trifluoromethyl group that enhances metabolic stability and lipophilicity. The phenolic hydroxyl facilitates direct functionalization or derivatization, enabling efficient access to diverse heterocyclic scaffolds and substituted aromatic systems under standard coupling conditions. Its bench-stable nature and compatibility with common protecting group strategies make it well-suited for multi-step syntheses.

Synthesis

  • Route1

    References

    • Yang, Daoshan; An, Baojuan; Wei, Wei; Jiang, Min; You, Jinmao; Wang, Hua Tetrahedron, 2014 , vol. 70, # 22 p. 3630 - 3634
  • Route2
    • 1-(Phenylmethoxy)-3-(trifluoromethyl)benzene|CS-0211063
      70097-64-2
    • ~98%
    • In-stock
      3-(Trifluoromethyl)phenol|CS-W010869
      98-17-9

    References

    • Park, Se Kyung; Battsengel, Oyunsaikhan; Chae, Junghyun Bulletin of the Korean Chemical Society, 2013 , vol. 34, # 1 p. 174 - 178
  • Route3

    References

    • Xu, Jun; Luo, Dong-Fen; Xiao, Bin; Liu, Zhao-Jing; Gong, Tian-Jun; Fu, Yao; Liu, Lei Chemical Communications, 2011 , vol. 47, # 14 p. 4300 - 4302

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335-H412
Precautionary Statements : P210-P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.411
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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