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CS-W001157 4
Total: USD 88.00

3-Methyl-4-nitrobenzaldehyde

  • CAS No. 18515-67-8

  • Cat. No. CS-W019266
  • Purity≥96%
  • MDL No.MFCD08445621

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

3-Methyl-4-nitrobenzaldehyde|CS-W019266

Structure of 18515-67-8

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General Information

  • CAS No. 18515-67-8
  • Cat. No. CS-W019266
  • Purity ≥96%
  • MDL No. MFCD08445621
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₃
  • Molecular Weight 165.15
  • Synonym(s) 5-Formyl-2-nitrotoluene, 4-Formyl-2-methylnitrobenzene
  • SMILES CC1=C(C=CC(=C1)C=O)[N+](=O)[O-]

Description

3-Methyl-4-nitrobenzaldehyde features a nitro group at the para position relative to the aldehyde, enhancing electrophilicity for nucleophilic addition reactions. The methyl substituent provides steric and electronic modulation, improving solubility and stability under standard conditions. This compound serves as a key building block in pharmaceutical intermediates and functional materials synthesis.

Application

3-Methyl-4-nitrobenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds and functionalized aromatic systems. Its ortho-directing methyl group and electron-withdrawing nitro substituent enhance electrophilic reactivity while maintaining bench stability. The aldehyde functionality facilitates efficient imine formation, Mannich reactions, and coupling protocols, making it well-suited for medicinal chemistry campaigns and process-scale synthesis.

Safety Information

Download SDS
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   60.21
  • LogP   1.71572
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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