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CS-W001157 4
Total: USD 88.00

2,3-Dimethyl-4-nitrophenol

  • CAS No. 19499-93-5

  • Cat. No. CS-W017840
  • Purity≥97%
  • MDL No.None

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

2,3-Dimethyl-4-nitrophenol|CS-W017840

Structure of 19499-93-5

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General Information

  • CAS No. 19499-93-5
  • Cat. No. CS-W017840
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) Dimethylnitrophenol
  • SMILES OC1=CC=C([N+]([O-])=O)C(C)=C1C

Description

2,3-Dimethyl-4-nitrophenol features a nitro group at the para position relative to the phenolic hydroxyl, enhancing electrophilic reactivity. The adjacent methyl substituents provide steric protection and improve bench stability. This configuration enables selective functionalization in synthetic sequences requiring electron-deficient aromatic platforms.

Application

2,3-Dimethyl-4-nitrophenol serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering a readily accessible ortho-substituted nitrophenol scaffold. Its stability under standard handling conditions and compatibility with common functional group transformations—such as reduction to the corresponding amine or coupling reactions—facilitate downstream derivatization. The molecule’s defined regiochemistry enables predictable reactivity in electrophilic substitution and transition-metal-catalyzed cross-coupling processes, making it a practical choice for constructing complex aromatic systems.

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 : H315-H319
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   63.37
  • LogP   1.91724
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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