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CS-W001157 4
Total: USD 88.00

4-Ethylamino-3-nitro-benzoic acid ethyl ester

  • CAS No. 91182-00-2

  • Cat. No. CS-0213190
  • Molecule weight238.24
  • Purity≥98%
  • MDL No.MFCD03147222

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

4-Ethylamino-3-nitro-benzoic acid ethyl ester|CS-0213190

Structure of 91182-00-2

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General Information

  • CAS No. 91182-00-2
  • Cat. No. CS-0213190
  • Purity ≥98%
  • MDL No. MFCD03147222
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂O₄
  • Molecular Weight 238.24
  • Synonym(s) 4-Aethylamino-3-nitro-benzoesaeure-aethylester
  • SMILES CCNC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Ates-Alagoz, Zeynep; Buyukbingol, Erdem Heterocyclic Communications, 2001 , vol. 7, # 5 p. 455 - 460
  • Route2

    References

    • Ates-Alagoz, Zeynep; Buyukbingol, Erdem Heterocyclic Communications, 2001 , vol. 7, # 5 p. 455 - 460
  • Route3
    • 4-(Diethylamino)benzoic acid|CS-W010685
      5429-28-7
    • ~%
    • 4-Ethylamino-3-nitro-benzoic acid ethyl ester|CS-0213190
      91182-00-2

    References

    • Reverdin; de Luc Chemische Berichte, 1909 , vol. 42, p. 1727 Chem. Zentralbl., 1909 , vol. 80, # II p. 606

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   81.47
  • LogP   2.2033
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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