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Ethyl 2-iodo-5-nitrobenzoate

  • CAS No. 835916-53-5

  • Cat. No. CS-0608120
  • Molecule weight321.07
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-iodo-5-nitrobenzoate|CS-0608120

Structure of 835916-53-5

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General Information

  • CAS No. 835916-53-5
  • Cat. No. CS-0608120
  • Purity ≥98%
  • 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) None
  • SMILES O=C(OCC)C1=CC([N+]([O-])=O)=CC=C1I

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

    • Goldstein; Grampoloff Helvetica Chimica Acta, 1930 , vol. 13, p. 310,311 Helvetica Chimica Acta, 1932 , vol. 15, p. 1102
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    References

    • Goldstein; Grampoloff Helvetica Chimica Acta, 1930 , vol. 13, p. 310,311 Helvetica Chimica Acta, 1932 , vol. 15, p. 1102

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

Quality Control

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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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