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CS-W001157 4
Total: USD 88.00

5-Methyl-2-nitroaniline

  • CAS No. 578-46-1

  • Cat. No. CS-W010956
  • Purity≥98%
  • MDL No.MFCD00007814

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

5-Methyl-2-nitroaniline|CS-W010956

Structure of 578-46-1

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General Information

  • CAS No. 578-46-1
  • Cat. No. CS-W010956
  • Purity ≥98%
  • MDL No. MFCD00007814
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂
  • Molecular Weight 152.15
  • Synonym(s) 6-Nitro-m-toluidine
  • SMILES NC1=CC(C)=CC=C1[N+]([O-])=O

Application

5-Methyl-2-nitroaniline serves as a versatile intermediate in synthetic organic chemistry, enabling the construction of substituted heterocycles and pharmaceutical scaffolds. Its ortho-nitro and meta-methyl groups provide complementary reactivity for selective transformations, including reduction to the corresponding amine, coupling reactions, and electrophilic substitution. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in multi-step synthesis workflows common in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      610-39-9
    • ~56%
    • In-stock
      5-Methyl-2-nitroaniline|CS-W010956
      578-46-1

    References

    • Terpko, Marc O.; Heck, Richard F. Journal of Organic Chemistry, 1980 , vol. 45, # 24 p. 4992 - 4993
  • Route2
    • null|null
      19164-41-1
    • ~65%
    • In-stock
      5-Methyl-2-nitroaniline|CS-W010956
      578-46-1
    • null|null
      89-62-3

    References

    • Synthetic Communications, , vol. 24, # 19 p. 2707 - 2712
  • Route3

    References

    • Journal of the Chemical Society, , p. 1624 Journal of the Society of Chemical Industry, London, , vol. 58, p. 152 Journal of the American Chemical Society, , vol. 64, p. 1167,1170

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08,GHS09
Signal Word : Danger
UN#: 2660
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H373-H411
Precautionary Statements : P260-P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   1.48542
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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