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CS-W001157 4
Total: USD 88.00

2-Chloro-4-(trifluoromethyl)phenol

  • CAS No. 35852-58-5

  • Cat. No. CS-0109374
  • Purity≥97%
  • MDL No.MFCD00042217

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

2-Chloro-4-(trifluoromethyl)phenol|CS-0109374

Structure of 35852-58-5

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General Information

  • CAS No. 35852-58-5
  • Cat. No. CS-0109374
  • Purity ≥97%
  • MDL No. MFCD00042217
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClF₃O
  • Molecular Weight 196.55
  • Synonym(s) 2-Chloro-4-Trifluoromethylphenl
  • SMILES OC1=CC=C(C(F)(F)F)C=C1Cl

Description

2-Chloro-4-(trifluoromethyl)phenol features a trifluoromethyl group that imparts strong electron-withdrawing character, enhancing reactivity in nucleophilic substitution. The chlorine substituent provides a handle for further functionalization, while the phenolic OH enables hydrogen bonding and solubility in polar solvents. This compound serves as a key intermediate in agrochemical and pharmaceutical synthesis.

Application

2-Chloro-4-(trifluoromethyl)phenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via nucleophilic aromatic substitution. The ortho-chloro group exhibits high reactivity toward amines, thiols, and alkoxides under mild conditions, while the trifluoromethyl moiety imparts enhanced metabolic stability and lipophilicity. Its bench-stable solid form facilitates handling and purification, making it well-suited for scalable synthesis workflows.

Synthesis

  • Route1
    • 4-(Trifluoromethyl)phenol Fluoxetine  Impurity|CS-0229006
      402-45-9
    • ~93%
    • In-stock
      2-Chloro-4-(trifluoromethyl)phenol|CS-0109374
      35852-58-5

    References

    • Shell Oil Company Patent: US4607128 A1, 1986 ;
  • Route2
    • null|null
      400091-57-8
    • ~96%
    • In-stock
      2-Chloro-4-(trifluoromethyl)phenol|CS-0109374
      35852-58-5

    References

    • AMOREPACIFIC CORPORATION Patent: WO2007/120012 A1, 2007 ; Location in patent: Page/Page column 98 ; WO 2007/120012 A1
  • Route3
    • null|null
      64635-55-8
    • In-stock
      3,4-Dichlorobenzotrifluoride|CS-W014913
      328-84-7
    • null|null
      75-65-0
    • ~%
    • In-stock
      2-Chloro-4-(trifluoromethyl)phenol|CS-0109374
      35852-58-5

    References

    • US4259510 A1, ;

Safety Information

Download SDS
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   20.23
  • LogP   3.0644
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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