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CS-W001157 4
Total: USD 88.00

4-Methyl-3-nitrobenzaldehyde

  • CAS No. 31680-07-6

  • Cat. No. CS-W014308
  • Purity≥96%
  • MDL No.MFCD00017011

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

4-Methyl-3-nitrobenzaldehyde|CS-W014308

Structure of 31680-07-6

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General Information

  • CAS No. 31680-07-6
  • Cat. No. CS-W014308
  • Purity ≥96%
  • MDL No. MFCD00017011
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₃
  • Molecular Weight 165.15
  • Synonym(s) Methylnitrobenzaldehyde
  • SMILES CC1=C([N+]([O-])=O)C=C(C=O)C=C1

Description

4-Methyl-3-nitrobenzaldehyde features a para-substituted aromatic ring bearing both a methyl group and a nitro function flanking the aldehyde moiety. This electron-deficient aldehyde integrates readily into coupling reactions, offering enhanced reactivity in transition-metal-catalyzed processes. The strategic placement of the nitro group stabilizes adjacent intermediates while maintaining bench-stable handling properties under standard conditions.

Application

4-Methyl-3-nitrobenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted heterocycles and pharmaceutical intermediates. Its ortho-nitro and para-methyl groups provide enhanced regioselectivity in electrophilic and nucleophilic transformations. The aldehyde functionality facilitates condensation reactions, including Mannich and Schiff base formations, with excellent bench stability and straightforward purification.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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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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