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CS-W001157 4
Total: USD 88.00

3-Ethoxy-4-nitroaniline

  • CAS No. 116435-75-7

  • Cat. No. CS-0510200
  • Purity≥98%
  • MDL No.MFCD18861056

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

3-Ethoxy-4-nitroaniline|CS-0510200

Structure of 116435-75-7

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General Information

  • CAS No. 116435-75-7
  • Cat. No. CS-0510200
  • Purity ≥98%
  • MDL No. MFCD18861056
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₃
  • Molecular Weight 182.18
  • Synonym(s) Benzenamine,3-ethoxy-4-nitro
  • SMILES NC1=CC=C([N+]([O-])=O)C(OCC)=C1

Synthesis

  • Route1
    • null|null
      361162-92-7
    • ~71%
    • 3-Ethoxy-4-nitroaniline|CS-0510200
      116435-75-7

    References

    • Wissner, Allan; Overbeek, Elsebe; Reich, Marvin F.; Floyd, M. Brawner; Johnson, Bernard D.; Mamuya, Nellie; Rosfjord, Edward C.; Discafani, Carolyn; Davis, Rachel; Shi, Xiaoqing; Rabindran, Sridhar K.; Gruber, Brian C.; Ye, Fei; Hallett, William A.; Nilakantan, Ramaswamy; Shen, Ru; Wang, Yu-Fen; Greenberger, Lee M.; Tsou, Hwei-Ru Journal of Medicinal Chemistry, 2003 , vol. 46, # 1 p. 49 - 63
  • Route2
    • null|null
      133070-80-1
    • ~22%
    • 2-Ethoxy-4-nitroaniline|CS-W017117
      16383-89-4
    • 3-Ethoxy-4-nitroaniline|CS-0510200
      116435-75-7

    References

    • Chapman, Nicholas; Conway, Benjamin; O'Grady, Fiona; Wall, Michael D. Synlett, 2006 , # 7 p. 1043 - 1046
  • Route3
    • 5-Methoxy-2-methyl-4-nitroaniline|CS-0128595
      106579-00-4
    • ~%
    • 3-Ethoxy-4-nitroaniline|CS-0510200
      116435-75-7

    References

    • Wissner, Allan; Overbeek, Elsebe; Reich, Marvin F.; Floyd, M. Brawner; Johnson, Bernard D.; Mamuya, Nellie; Rosfjord, Edward C.; Discafani, Carolyn; Davis, Rachel; Shi, Xiaoqing; Rabindran, Sridhar K.; Gruber, Brian C.; Ye, Fei; Hallett, William A.; Nilakantan, Ramaswamy; Shen, Ru; Wang, Yu-Fen; Greenberger, Lee M.; Tsou, Hwei-Ru Journal of Medicinal Chemistry, 2003 , vol. 46, # 1 p. 49 - 63

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.39
  • LogP   1.5757
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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