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CS-W001157 4
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5-Nitro-2-methylbenzoic acid

  • CAS No. 1975-52-6

  • Cat. No. CS-D1385
  • Purity≥98%
  • MDL No.MFCD00007371

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

5-Nitro-2-methylbenzoic acid|CS-D1385

Structure of 1975-52-6

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General Information

  • CAS No. 1975-52-6
  • Cat. No. CS-D1385
  • Purity ≥98%
  • MDL No. MFCD00007371
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight None
  • Synonym(s) 2-Methyl-5-nitrobenzoic acid; 3-Nitro-6-methylbenzoic acid; 5-Nitro-o-toluic Acid
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=CC=C1C

Description

5-Nitro-2-methylbenzoic acid features a para-nitro group flanked by a methyl substituent and carboxylic acid functionality, enabling selective conjugation in synthetic routes. This electron-deficient aromatic core enhances reactivity in nucleophilic substitution and coupling reactions, offering robust stability under standard conditions.

Application

5-Nitro-2-methylbenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted benzoic acid derivatives and heterocyclic scaffolds. Its ortho-methyl and para-nitro substituents provide defined electronic and steric control, facilitating selective functionalization. The carboxylic acid group offers direct handle for amidation, esterification, or coupling reactions, while the nitro group permits reduction to an amine under standard conditions. Bench-stable and readily purified by recrystallization, it functions effectively in both medicinal chemistry lead optimization and process development 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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P362+P364-P501

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.60142
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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