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CS-W001157 4
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5-Methoxy-2-nitrophenol

  • CAS No. 704-14-3

  • Cat. No. CS-W000056
  • Purity≥98%
  • MDL No.MFCD00100932

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

5-Methoxy-2-nitrophenol|CS-W000056

Structure of 704-14-3

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General Information

  • CAS No. 704-14-3
  • Cat. No. CS-W000056
  • Purity ≥98%
  • MDL No. MFCD00100932
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₄
  • Molecular Weight 169.13
  • Synonym(s) 5-methoxy-2-nitrophenolate
  • SMILES COc1ccc(c(O)c1)[N+]([O-])=O

Description

5-Methoxy-2-nitrophenol features a phenolic hydroxyl group flanked by a methoxy substituent at the meta position and a nitro group at the ortho position, creating a uniquely electron-deficient aromatic system. This structural motif enables direct participation in cross-coupling reactions and facilitates incorporation into complex molecular architectures under mild conditions. The compound exhibits enhanced solubility in organic solvents compared to analogs lacking the methoxy functionality, improving handling in synthetic workflows.

Application

5-Methoxy-2-nitrophenol serves as a valuable building block in synthetic organic chemistry, enabling access to functionalized heterocycles and pharmaceutical intermediates. Its ortho-dinitro substitution pattern facilitates controlled electrophilic and nucleophilic transformations, while the methoxy and phenolic groups offer complementary reactivity for selective derivatization. Bench-stable and amenable to standard purification methods, it functions reliably in multi-step syntheses requiring precise regiocontrol.

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   72.6
  • LogP   1.309
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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