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CS-W001157 4
Total: USD 88.00

1-(3-Bromopropoxy)-4-nitrobenzene

  • CAS No. 13094-50-3

  • Cat. No. CS-0207484
  • Purity≥95%
  • MDL No.MFCD00596643

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

1-(3-Bromopropoxy)-4-nitrobenzene|CS-0207484

Structure of 13094-50-3

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General Information

  • CAS No. 13094-50-3
  • Cat. No. CS-0207484
  • Purity ≥95%
  • MDL No. MFCD00596643
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀BrNO₃
  • Molecular Weight 260.08
  • Synonym(s) None
  • SMILES C(CBr)COC1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Song, Hyeseung; Lee, Yun Suk; Roh, Eun Joo; Seo, Jae Hong; Oh, Kwang-Seok; Lee, Byung Ho; Han, Hogyu; Shin, Kye Jung Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 17 p. 5668 - 5674
  • Route2

    References

    • Ghosh, Raju; Lindstedt, Erik; Jalalian, Nazli; Olofsson, Berit ChemistryOpen, 2014 , vol. 3, # 2 p. 54 - 57
  • Route3
    • 3-(4-Nitrophenoxy)propan-1-ol|CS-1717013
      66971-02-6
    • ~61%
    • 1-(3-Bromopropoxy)-4-nitrobenzene|CS-0207484
      13094-50-3

    References

    • Jin, Yi; Zhou, Zu-Yu; Tian, Wei; Yu, Qiang; Long, Ya-Qiu Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 22 p. 5864 - 5869

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.7586
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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