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CS-W001157 4
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4-(Aminomethyl)-3-nitrobenzoic acid

  • CAS No. 2372-51-2

  • Cat. No. CS-0112484
  • Molecule weight196.16
  • Purity≥98%
  • MDL No.None

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

4-(Aminomethyl)-3-nitrobenzoic acid|CS-0112484

Structure of 2372-51-2

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General Information

  • CAS No. 2372-51-2
  • Cat. No. CS-0112484
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₄
  • Molecular Weight 196.16
  • Synonym(s) 4-Aminomethyl-3-nitrobenzoic acid
  • SMILES O=C(O)C1=CC=C(CN)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • Lee, Hong Boon; Zaccaro, Maria Clara; Pattarawarapan, Mookda; Roy, Sudipta; Saragovi, H. Uri; Burgess, Kevin Journal of Organic Chemistry, 2004 , vol. 69, # 3 p. 701 - 713
  • Route2
    • 4-((2,2,2-Trifluoroacetamido)methyl)benzoic acid|CS-0345295
      130029-61-7
    • ~%
    • 4-(Aminomethyl)-3-nitrobenzoic acid|CS-0112484
      2372-51-2

    References

    • Bayer, Andrew M.; Alam, Shahrina; Mattern-Schain, Samuel I.; Best, Michael D. Chemistry - A European Journal, 2014 , vol. 20, # 12 p. 3350 - 3357
  • Route3
    • 4-(Aminomethyl)benzoic acid Tranexamic Impurity|CS-0229695
      56-91-7
    • ~%
    • 4-(Aminomethyl)-3-nitrobenzoic acid|CS-0112484
      2372-51-2

    References

    • Chandra, Binita; Mallik, Sanku; Srivastava Chemical Communications, 2005 , # 24 p. 3021 - 3023

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   106.46
  • LogP   0.7517
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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