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CS-W001157 4
Total: USD 88.00

3-Acetamido-4-methyl-2-nitrobenzoic acid

  • CAS No. 7356-52-7

  • Cat. No. CS-0041647
  • Purity≥97%
  • MDL No.MFCD00755098

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

3-Acetamido-4-methyl-2-nitrobenzoic acid|CS-0041647

Structure of 7356-52-7

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General Information

  • CAS No. 7356-52-7
  • Cat. No. CS-0041647
  • Purity ≥97%
  • MDL No. MFCD00755098
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₅
  • Molecular Weight 238.20
  • Synonym(s) 3-Acetylamino-4-methyl-2-nitro-benzoic acid
  • SMILES C1=C(C(=C(C(=C1)C)NC(C)=O)[N+](=O)[O-])C(O)=O

Synthesis

  • Route1
    • 3-Acetamido-4-methylbenzoic acid|CS-0038381
      6946-14-1
    • ~61%
    • 3-Acetamido-4-methyl-2-nitrobenzoic acid|CS-0041647
      7356-52-7

    References

    • AMGEN INC. Patent: WO2007/76092 A2, 2007 ; Location in patent: Page/Page column 71 ; WO 2007/076092 A2
  • Route2
    • 3-Acetamido-4-methylbenzoic acid|CS-0038381
      6946-14-1
    • ~71%
    • null|null
      6632-23-1
    • 3-Acetamido-4-methyl-2-nitrobenzoic acid|CS-0041647
      7356-52-7

    References

    • Clews, John; Curtis, Anthony D.M.; Malkin, Hugh Tetrahedron, 2000 , vol. 56, # 44 p. 8735 - 8746
  • Route3
    • 3-Amino-4-methylbenzoic acid Nilotinib Impurity|CS-0229206
      2458-12-0
    • ~%
    • 3-Acetamido-4-methyl-2-nitrobenzoic acid|CS-0041647
      7356-52-7

    References

    • Tetrahedron, , vol. 56, # 44 p. 8735 - 8746

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   109.54
  • LogP   1.55982
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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