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CS-W001157 4
Total: USD 88.00

4-Chloro-2,6-dimethylphenol

  • CAS No. 1123-63-3

  • Cat. No. CS-0190842
  • Purity≥97%
  • MDL No.None

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

4-Chloro-2,6-dimethylphenol|CS-0190842

Structure of 1123-63-3

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General Information

  • CAS No. 1123-63-3
  • Cat. No. CS-0190842
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClO
  • Molecular Weight 156.61
  • Synonym(s) 4-Chloro-2,6-xylenol (OH=1)
  • SMILES CC1=C(C(=CC(=C1)Cl)C)O

Description

4-Chloro-2,6-dimethylphenol features a chlorine substituent at the para position relative to the phenolic hydroxyl, flanked by two methyl groups that confer steric protection and enhance stability. This combination imparts high resistance to oxidation and facilitates handling under ambient conditions. The molecule serves as a key intermediate in agrochemical synthesis and functionalized aromatic building blocks for pharmaceutical development.

Application

4-Chloro-2,6-dimethylphenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its electron-rich aromatic core enables efficient electrophilic substitution and palladium-catalyzed coupling reactions. The chlorine atom provides a reliable handle for nucleophilic displacement, while the ortho-methyl groups enhance stability and influence regioselectivity. This compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis workflows.

Synthesis

  • Route1
    • null|null
      3536-97-8
    • null|null
      95717-55-8
    • ~49%
    • In-stock
      4-Chloro-2,6-dimethylphenol|CS-0190842
      1123-63-3
    • null|null
      95717-58-1
    • 5-Chloro-2-isopropoxy-1,3-dimethylbenzene|CS-0679949
      95729-57-0

    References

    • Journal of the Chemical Society, Chemical Communications, , # 23 p. 1617 - 1619
  • Route2
    • null|null
      576-26-1
    • ~%
    • In-stock
      4-Chloro-2,6-dimethylphenol|CS-0190842
      1123-63-3

    References

    • Molecular Crystals and Liquid Crystals (1969-1991), , vol. 96, p. 57 - 70
  • Route3
    • (5-Chloro-2-hydroxy-1,3-phenylene)dimethanol|CS-0493041
      17026-49-2
    • ~%
    • In-stock
      4-Chloro-2,6-dimethylphenol|CS-0190842
      1123-63-3

    References

    • Journal of Applied Chemistry, , vol. 5, p. 289,293

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.66244
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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