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CS-W001157 4
Total: USD 88.00

2-Carbamoyl-3-nitrobenzoic acid

  • CAS No. 77326-45-5

  • Cat. No. CS-0217028
  • Molecule weight210.14
  • Purity95+%
  • MDL No.None

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

2-Carbamoyl-3-nitrobenzoic acid|CS-0217028

Structure of 77326-45-5

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General Information

  • CAS No. 77326-45-5
  • Cat. No. CS-0217028
  • Purity 95+%
  • 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) 2-Aminocarbonyl-3-nitrobenzoic acid
  • SMILES O=[N+]([O-])C1=CC=CC(C(O)=O)=C1C(N)=O

Synthesis

  • Route1

    References

    • Muller, George; Man, Hon-Wah; Cohen, Benjamin M.; Li, Ying; Xu, Jean; Leong, William W. Patent: US2012/232100 A1, 2012 ; Location in patent: Page/Page column 24 ;
  • Route2

    References

    • GRUeNENTHAL GMBH; SCHUNK, Stefan; REICH, Melanie; ENGELS, Michael; GERMANN, Tieno; DE VRY, Jean; JOSTOCK, Ruth; HEES, Sabine Patent: WO2010/142402 A1, 2010 ; Location in patent: Page/Page column 109 ;

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-P330-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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