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CS-W001157 4
Total: USD 88.00

4-Carbamoyl-3-nitrobenzoic acid

  • CAS No. 87594-59-0

  • Cat. No. CS-0366565
  • Molecule weight210.14
  • Purity≥98%
  • MDL No.None

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

4-Carbamoyl-3-nitrobenzoic acid|CS-0366565

Structure of 87594-59-0

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General Information

  • CAS No. 87594-59-0
  • Cat. No. CS-0366565
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₅
  • Molecular Weight 210.14
  • Synonym(s) 3-nitroterephthalamic acid
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=C(C(N)=O)C=C1

Synthesis

  • Route1
    • 4-(Methoxycarbonyl)-3-nitrobenzoic acid|CS-0204354
      35092-89-8
    • ~58%
    • 4-Carbamoyl-3-nitrobenzoic acid|CS-0366565
      87594-59-0

    References

    • EXELIXIS, INC. Patent: WO2009/55077 A1, 2009 ; Location in patent: Page/Page column 445 ;

Safety Information

Download SDS
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   123.53
  • LogP   0.3919
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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