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CS-W001157 4
Total: USD 88.00

1-(2-Iodoethyl)-4-nitrobenzene

  • CAS No. 20264-96-4

  • Cat. No. CS-0523135
  • Molecule weight277.06
  • Purity≥98%
  • MDL No.None

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

1-(2-Iodoethyl)-4-nitrobenzene|CS-0523135

Structure of 20264-96-4

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General Information

  • CAS No. 20264-96-4
  • Cat. No. CS-0523135
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈INO₂
  • Molecular Weight 277.06
  • Synonym(s) 1-(2-IODO-ETHYL)-4-NITRO-BENZENE
  • SMILES O=[N+](C1=CC=C(CCI)C=C1)[O-]

Synthesis

  • Route1

    References

    • Pinto, Orlando; Sardinha, Joao; Vaz, Pedro D.; Piedade, Fatima; Calhorda, Maria J.; Abramovitch, Rudolph; Nazareth, Nair; Pinto, Madalena; Nascimento, Maria S. J.; Rauter, Amelia P. Journal of Medicinal Chemistry, 2011 , vol. 54, # 9 p. 3175 - 3187
  • Route2

    References

    • Keeffe, James R.; Jencks, William P. Journal of the American Chemical Society, 1983 , vol. 105, # 2 p. 265 - 279
  • Route3
    • null|null
      20020-28-4
    • ~71%
    • 1-(2-Iodoethyl)-4-nitrobenzene|CS-0523135
      20264-96-4

    References

    • Palmer; Lee; Johnson; Baguley; Wickham; Wakelin; McFadyen; Denny Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 3008 - 3014

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
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   43.14
  • LogP   2.5723
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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