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CS-W001157 4
Total: USD 88.00

4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenol

  • CAS No. 836-79-3

  • Cat. No. CS-0063163
  • Molecule weight260.13
  • Purity≥97%
  • MDL No.None

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

4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenol|CS-0063163

Structure of 836-79-3

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General Information

  • CAS No. 836-79-3
  • Cat. No. CS-0063163
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₆O₂
  • Molecular Weight 260.13
  • Synonym(s) α,α-Bis(trifluoromethyl)-4-hydroxybenzenemethanol
  • SMILES OC(C(F)(F)F)(C(F)(F)F)C1=CC=C(O)C=C1

Synthesis

  • Route1
    • null|null
      16878-48-1
    • ~%
    • 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenol|CS-0063163
      836-79-3

    References

    • Journal of the American Chemical Society, , vol. 113, # 12 p. 4588 - 4595
  • Route2
    • null|null
      577741-90-3
    • ~%
    • 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenol|CS-0063163
      836-79-3

    References

    • Journal of the American Chemical Society, , vol. 113, # 12 p. 4588 - 4595
  • Route3
    • null|null
      684-16-2
    • null|null
      108-95-2
    • ~%
    • 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenol|CS-0063163
      836-79-3

    References

    • Journal of Organic Chemistry, , vol. 33, p. 3306 - 3308

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   2.7044
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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