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CS-W001157 4
Total: USD 88.00

1-(4-Bromobutoxy)-4-nitrobenzene

  • CAS No. 55502-03-9

  • Cat. No. CS-0580709
  • Molecule weight274.11
  • Purity≥98%
  • MDL No.None

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

1-(4-Bromobutoxy)-4-nitrobenzene|CS-0580709

Structure of 55502-03-9

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General Information

  • CAS No. 55502-03-9
  • Cat. No. CS-0580709
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂BrNO₃
  • Molecular Weight 274.11
  • Synonym(s) 4-Nitrophenoxybutylbromide
  • SMILES C1=CC(=CC=C1[N+](=O)[O-])OCCCCBr

Synthesis

  • Route1
    • null|null
      110-52-1
    • null|null
      100-02-7
    • ~93%
    • 1-(4-Bromobutoxy)-4-nitrobenzene|CS-0580709
      55502-03-9

    References

    • Journal of Medicinal Chemistry, , vol. 53, # 23 p. 8376 - 8386
  • Route2
    • null|null
      110-52-1
    • null|null
      1124-31-8
    • ~%
    • 1-(4-Bromobutoxy)-4-nitrobenzene|CS-0580709
      55502-03-9

    References

    • Journal of the Chemical Society, , p. 3298,3308
  • Route3
    • null|null
      110-52-1
    • null|null
      824-78-2
    • ~%
    • 1-(4-Bromobutoxy)-4-nitrobenzene|CS-0580709
      55502-03-9

    References

    • Molecular Pharmacology, , vol. 68, # 5 p. 1254 - 1270

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   3.1487
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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