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CS-W001157 4
Total: USD 88.00

4,5-Difluoro-2-methylphenol

  • CAS No. 704884-76-4

  • Cat. No. CS-0038118
  • Purity≥97%
  • MDL No.None

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

4,5-Difluoro-2-methylphenol|CS-0038118

Structure of 704884-76-4

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General Information

  • CAS No. 704884-76-4
  • Cat. No. CS-0038118
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₂O
  • Molecular Weight 144.12
  • Synonym(s) None
  • SMILES CC1=CC(=C(C=C1O)F)F

Description

4,5-Difluoro-2-methylphenol features a fluorinated aromatic ring with complementary electron-withdrawing fluorine atoms and a methyl group at the ortho position. This combination imparts enhanced stability and controlled reactivity, enabling selective functionalization in synthetic routes. The molecule serves as a key building block for bioactive compounds and advanced materials.

Application

4,5-Difluoro-2-methylphenol serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds with enhanced metabolic stability. Its ortho-methyl group provides a handle for directed functionalization, while the difluoro substitution pattern enhances lipophilicity and modulates electronic properties. The phenolic functionality facilitates straightforward derivatization, including etherification and esterification, and the compound exhibits good bench stability and ease of purification in standard synthetic workflows.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.97882
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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