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CS-W001157 4
Total: USD 88.00

2-Methyl-4-nitrobenzoic acid

  • CAS No. 1975-51-5

  • Cat. No. CS-W017164
  • Purity≥97%
  • MDL No.MFCD00210697

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

2-Methyl-4-nitrobenzoic acid|CS-W017164

Structure of 1975-51-5

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General Information

  • CAS No. 1975-51-5
  • Cat. No. CS-W017164
  • Purity ≥97%
  • MDL No. MFCD00210697
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight 181.15
  • Synonym(s) 4-nitro-o-toluic acid; 2-Methyl-4-nitrobenzoic acid
  • SMILES O=C(O)C1=CC=C([N+]([O-])=O)C=C1C

Description

2-Methyl-4-nitrobenzoic acid features a nitro group at the para position relative to the carboxylic acid, enhancing electrophilicity for downstream functionalization. The methyl substituent introduces steric and electronic modulation, improving solubility in organic solvents while maintaining stability under standard bench conditions. This structure facilitates direct incorporation into pharmaceutical intermediates and fine chemical syntheses.

Application

2-Methyl-4-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzoic acid derivatives. Its ortho-methyl and para-nitro substituents provide complementary reactivity for selective functionalization, while the carboxylic acid group facilitates direct coupling reactions or derivatization. The compound exhibits good bench stability and is readily purified by recrystallization, supporting reliable use in multi-step syntheses.

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-P330-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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