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CS-W001157 4
Total: USD 88.00

Ethyl 4-amino-3-nitrobenzoate

  • CAS No. 76918-64-4

  • Cat. No. CS-0042862
  • Molecule weight210.19
  • Purity≥97%
  • MDL No.MFCD00044015

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

Ethyl 4-amino-3-nitrobenzoate|CS-0042862

Structure of 76918-64-4

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General Information

  • CAS No. 76918-64-4
  • Cat. No. CS-0042862
  • Purity ≥97%
  • MDL No. MFCD00044015
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₄
  • Molecular Weight 210.19
  • Synonym(s) Ethyl 3-nitro-4-aminobenzoate
  • SMILES O=C(OCC)C1=CC=C(N)C([N+]([O-])=O)=C1

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      4-Amino-3-nitrobenzoic acid|CS-W008978
      1588-83-6
    • ~78%
    • In-stock
      Ethyl 4-amino-3-nitrobenzoate|CS-0042862
      76918-64-4

    References

    • Ackermann, Jean; Bleicher, Konrad; Ceccarelli, Simona M.; Chomienne, Odile; Mattei, Patrizio; Sander, Ulrike Obst Patent: US2007/191603 A1, 2007 ; Location in patent: Page/Page column 27 ;
  • Route2

    References

    • FUJISAWA PHARMACEUTICAL CO., LTD.; Daicel Chemical Industries, Ltd. Patent: EP1132087 A1, 2001 ;
  • Route3
    • Ethyl 4-acetamido-3-nitrobenzoate|CS-0720448
      175204-17-8
    • ~%
    • In-stock
      Ethyl 4-amino-3-nitrobenzoate|CS-0042862
      76918-64-4

    References

    • Monge, Antonio; Palop, Juan A.; Cerain, Adela Lopez de; Senador, Virginia; Martinez-Crespo, Francisko J.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 10 p. 1786 - 1792

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   95.46
  • LogP   1.3537
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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