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CS-W001157 4
Total: USD 88.00

3-Amino-5-nitrobenzoic acid

  • CAS No. 618-84-8

  • Cat. No. CS-0128390
  • Purity≥95%
  • MDL No.MFCD00017025

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

3-Amino-5-nitrobenzoic acid|CS-0128390

Structure of 618-84-8

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General Information

  • CAS No. 618-84-8
  • Cat. No. CS-0128390
  • Purity ≥95%
  • MDL No. MFCD00017025
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O₄
  • Molecular Weight 182.13
  • Synonym(s) Benzoic acid, 3-amino-5-nitro-
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=CC(N)=C1

Synthesis

  • Route1
    • null|null
      99-34-3
    • ~85%
    • 3-Amino-5-nitrobenzoic acid|CS-0128390
      618-84-8

    References

    • Avyyangar; Kalkote; Lugade; Nikrad; Sharma Bulletin of the Chemical Society of Japan, 1983 , vol. 56, # 10 p. 3159 - 3164
  • Route2

    References

    • Advanced Synthesis and Catalysis, , vol. 353, # 8 p. 1306 - 1316
  • Route3
    • null|null
      91088-41-4
    • ~%
    • 3-Amino-5-nitrobenzoic acid|CS-0128390
      618-84-8

    References

    • Chem. Zentralbl., , vol. 85, # I p. 538

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   106.46
  • LogP   0.8752
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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