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CS-W001157 4
Total: USD 88.00

2-(Tert-butyl)-4-fluorophenol

  • CAS No. 357611-22-4

  • Cat. No. CS-0469890
  • Molecule weight168.21
  • Purity≥98%
  • MDL No.MFCD16657844

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

2-(Tert-butyl)-4-fluorophenol|CS-0469890

Structure of 357611-22-4

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General Information

  • CAS No. 357611-22-4
  • Cat. No. CS-0469890
  • Purity ≥98%
  • MDL No. MFCD16657844
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃FO
  • Molecular Weight 168.21
  • Synonym(s) 2-tert-butyl-4-fluorophenol
  • SMILES CC(C)(C)C1=C(O)C=CC(F)=C1

Synthesis

  • Route1

    References

    • Nizovtsev, Alexey V.; Scheurer, Andreas; Kosog, Boris; Heinemann, Frank W.; Meyer, Karsten European Journal of Inorganic Chemistry, 2013 , # 14 p. 2538 - 2548
  • Route2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ; Title/Abstract Full Text Show Details Vertex Pharmaceuticals Incorporated Patent: US2012/309758 A1, 2012 ; US 20120309758 A1
  • Route3

    References

    • Gao, Zhanghua; Lim, Yee Hwee; Tredwell, Matthew; Li, Lei; Verhoog, Stefan; Hopkinson, Matthew; Kaluza, Wojciech; Collier, Thomas Lee; Passchier, Jan; Huiban, Mickael; Gouverneur, Veronique Angewandte Chemie - International Edition, 2012 , vol. 51, # 27 p. 6733 - 6737

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.8288
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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