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CS-W001157 4
Total: USD 88.00

5-Methyl-2-nitrobenzoic acid

  • CAS No. 3113-72-2

  • Cat. No. CS-W017166
  • Purity≥95%
  • MDL No.MFCD00007368

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

5-Methyl-2-nitrobenzoic acid|CS-W017166

Structure of 3113-72-2

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General Information

  • CAS No. 3113-72-2
  • Cat. No. CS-W017166
  • Purity ≥95%
  • MDL No. MFCD00007368
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight 181.15
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C)=CC=C1[N+]([O-])=O

Description

5-Methyl-2-nitrobenzoic acid is used in the preparation of methyl-N-(5-methyl-2-nitrophenyl) carbamate.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 47, # 49 p. 8651 - 8652
  • Route2

    References

    • Tetrahedron Letters, , vol. 49, # 28 p. 4449 - 4451
  • Route3

    References

    • Chemische Berichte, , vol. 38, p. 3555

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

Quality Control

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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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