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CS-W001157 4
Total: USD 88.00

4-Tert-butyl-2-chlorophenol

  • CAS No. 98-28-2

  • Cat. No. CS-0144872
  • Molecule weight184.66
  • Purity≥95%
  • MDL No.None

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

4-Tert-butyl-2-chlorophenol|CS-0144872

Structure of 98-28-2

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General Information

  • CAS No. 98-28-2
  • Cat. No. CS-0144872
  • Purity ≥95%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃ClO
  • Molecular Weight 184.66
  • Synonym(s) phenol, 2-chloro, 4-t-butyl
  • SMILES OC1=CC=C(C(C)(C)C)C=C1Cl

Description

4-Tert-butyl-2-chlorophenol features a sterically hindered tert-butyl group flanking a chlorine-substituted aromatic ring, enhancing stability and directing electrophilic substitution. This electron-deficient phenolic scaffold integrates readily into functionalized building blocks for pharmaceutical intermediates and agrochemicals under standard conditions.

Synthesis

  • Route1
    • null|null
      98-54-4
    • ~93%
    • In-stock
      4-Tert-butyl-2-chlorophenol|CS-0144872
      98-28-2

    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
  • Route2
    • null|null
      95-57-8
    • null|null
      75-65-0
    • ~%
    • In-stock
      4-Tert-butyl-2-chlorophenol|CS-0144872
      98-28-2

    References

    • US2140782 , ;
  • Route3
    • null|null
      939-97-9
    • ~%
    • In-stock
      4-Tert-butyl-2-chlorophenol|CS-0144872
      98-28-2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 14 p. 3347 - 3351

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   3.3431
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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