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CS-W001157 4
Total: USD 88.00

3-Methoxy-4-nitrobenzoic acid

  • CAS No. 5081-36-7

  • Cat. No. CS-W007961
  • Purity≥98%
  • MDL No.MFCD00007353

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

3-Methoxy-4-nitrobenzoic acid|CS-W007961

Structure of 5081-36-7

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General Information

  • CAS No. 5081-36-7
  • Cat. No. CS-W007961
  • Purity ≥98%
  • MDL No. MFCD00007353
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight None
  • Synonym(s) 4-Nitro-m-anisic Acid
  • SMILES O=C(O)C1=CC=C([N+]([O-])=O)C(OC)=C1

Description

This bench-stable, moisture-tolerant carboxylic acid features a para-nitro group and a meta-methoxy substituent, enabling direct incorporation into conjugated systems. The electron-deficient aromatic core facilitates efficient coupling reactions, while the polar functional groups enhance solubility in common organic solvents for streamlined synthesis workflows.

Application

3-Methoxy-4-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic systems. Its ortho-substituted nitro and ester-capable carboxylic acid groups offer complementary reactivity for sequential transformations, including reduction of the nitro group, esterification, and coupling reactions. The methoxy substituent enhances solubility and modulates electronic properties, while the molecule exhibits good bench stability and facilitates straightforward purification by recrystallization or chromatography.

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   89.67
  • LogP   1.3016
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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