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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)phenol

  • CAS No. 402-45-9

  • Cat. No. CS-W001935
  • Purity≥97%
  • MDL No.MFCD00002363

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

4-(Trifluoromethyl)phenol|CS-W001935

Structure of 402-45-9

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General Information

  • CAS No. 402-45-9
  • Cat. No. CS-W001935
  • Purity ≥97%
  • MDL No. MFCD00002363
  • Storage 4°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃O
  • Molecular Weight 162.11
  • Synonym(s) α,α,α-Trifluoro-p-cresol
  • SMILES FC(F)(F)C1=CC=C(O)C=C1

Description

4-(Trifluoromethyl)phenol molecule, bound at the active site of H61T (His-61Thr) mutant, shows strong density.4-(Trifluoromethyl)phenol also known as p-trifluoromethylphenol, is used in synthesis of polymers and monomers.4-(Trifluoromethyl)phenol (4-hydroxybenzotrifluoride) was used in the synthesis of diaryl ether.

Synthesis

  • Route1

    References

    • Dar, Bashir Ahmad; Bhatti, Prince; Singh; Lazar, Anish; Sharma, Parduman R.; Sharma, Meena; Singh, Baldev Applied Catalysis A: General, 2013 , vol. 466, p. 60 - 67
  • Route2

    References

    • Sergeev, Alexey G.; Schulz, Thomas; Torborg, Christian; Spannenberg, Anke; Neumann, Helfried; Beller, Matthias Angewandte Chemie, International Edition, 2009 , vol. 48, # 41 p. 7595 - 7599
  • Route3
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      98-56-6
    • ~79%
    • In-stock
      4-(Trifluoromethyl)phenol|CS-W001935
      402-45-9

    References

    • Sergeev, Alexey G.; Schulz, Thomas; Torborg, Christian; Spannenberg, Anke; Neumann, Helfried; Beller, Matthias Angewandte Chemie, International Edition, 2009 , vol. 48, # 41 p. 7595 - 7599

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05,GHS06
Signal Word : Danger
UN#: 2926
Class : 4.1 (6.1)
Packing Group : Ⅱ
Hazard Statements : H228-H301-H315-H318-H335
Precautionary Statements : P210-P240-P241-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-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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