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1-(2-Bromoethyl)-2-nitrobenzene

  • CAS No. 16793-89-8

  • Cat. No. CS-0186221
  • Molecule weight230.06
  • Purity≥95%
  • MDL No.MFCD06800159

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

1-(2-Bromoethyl)-2-nitrobenzene|CS-0186221

Structure of 16793-89-8

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General Information

  • CAS No. 16793-89-8
  • Cat. No. CS-0186221
  • Purity ≥95%
  • MDL No. MFCD06800159
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₂
  • Molecular Weight 230.06
  • Synonym(s) o-Nitrophenethyl bromide
  • SMILES C1=CC=C(C(=C1)CCBr)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Bristol-Myers Squibb Company Patent: US2007/259851 A1, 2007 ; Location in patent: Page/Page column 108 ;
  • Route2

    References

    • WO2005/807 A2, ; Page 38 ; WO 2005/000807 A2
  • Route3
    • null|null
      103-63-9
    • ~%
    • In-stock
      1-(2-Bromoethyl)-4-nitrobenzene|CS-W012967
      5339-26-4
    • In-stock
      1-(2-Bromoethyl)-2-nitrobenzene|CS-0186221
      16793-89-8

    References

    • Chemische Berichte, , vol. 64, p. 1510,1519 Journal of the American Chemical Society, , vol. 69, p. 2141 Journal of the American Chemical Society, , vol. 62, p. 1435,1436

Safety Information

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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

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.5322
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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