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CS-W001157 4
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Ethyl 4-iodo-3-nitrobenzoate

  • CAS No. 57362-77-3

  • Cat. No. CS-0361568
  • Purity95+%
  • MDL No.None

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

Ethyl 4-iodo-3-nitrobenzoate|CS-0361568

Structure of 57362-77-3

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General Information

  • CAS No. 57362-77-3
  • Cat. No. CS-0361568
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈INO₄
  • Molecular Weight 321.07
  • Synonym(s) Benzoic acid, 4-iodo-3-nitro-, ethyl ester
  • SMILES CCOC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Sapountzis, Ioannis; Dube, Henry; Lewis, Robert; Gommermann, Nina; Knochel, Paul Journal of Organic Chemistry, 2005 , vol. 70, # 7 p. 2445 - 2454
  • Route2

    References

    • Curiel, David; Sanchez, Guzman; Ramirez De Arellano, Carmen; Tarraga, Alberto; Molina, Pedro Organic and Biomolecular Chemistry, 2012 , vol. 10, # 9 p. 1896 - 1904
  • Route3

    References

    • Li, Xinyu; Li, Cheng; Zhang, Wenjing; Lu, Xiang; Han, Shiqing; Hong, Ran Organic Letters, 2010 , vol. 12, # 8 p. 1696 - 1699

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.3761
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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