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CS-W001157 4
Total: USD 88.00

1,3,5-Trimethyl-2-nitrobenzene

  • CAS No. 603-71-4

  • Cat. No. CS-0319735
  • Purity≥98%
  • MDL No.MFCD00007170

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

1,3,5-Trimethyl-2-nitrobenzene|CS-0319735

Structure of 603-71-4

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General Information

  • CAS No. 603-71-4
  • Cat. No. CS-0319735
  • Purity ≥98%
  • MDL No. MFCD00007170
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight None
  • Synonym(s) 2-Nitromesitylene
  • SMILES CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

Description

1,3,5-Trimethyl-2-nitrobenzene features a nitro group flanked by three methyl substituents in a symmetric arrangement, delivering enhanced stability and reduced reactivity compared to less substituted analogs. This electron-deficient aromatic core integrates readily into synthetic pathways requiring controlled electrophilic character, particularly in the development of functionalized intermediates for pharmaceutical and materials applications.

Application

1,3,5-Trimethyl-2-nitrobenzene serves as a valuable synthetic intermediate in aromatic nitration and coupling workflows. Its electron-donating methyl groups enhance reactivity at the para-position relative to the nitro group, enabling selective functionalization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in multistep synthesis of heterocyclic scaffolds and pharmaceutical intermediates.

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.52006
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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