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CS-W001157 4
Total: USD 88.00

6-(4-Bromophenyl)-6-oxohexanenitrile

  • CAS No. 61719-38-8

  • Cat. No. CS-0574692
  • Purity≥98%
  • MDL No.None

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

6-(4-Bromophenyl)-6-oxohexanenitrile|CS-0574692

Structure of 61719-38-8

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General Information

  • CAS No. 61719-38-8
  • Cat. No. CS-0574692
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂BrNO
  • Molecular Weight 266.13
  • Synonym(s) 4'-bromo-5-cyanovalerophenone
  • SMILES N#CCCCCC(C1=CC=C(Br)C=C1)=O

Synthesis

  • Route1
    • 1-Bromo-4-(cyclohex-1-en-1-yl)benzene|CS-0213174
      1605-17-0
    • ~54%
    • 6-(4-Bromophenyl)-6-oxohexanenitrile|CS-0574692
      61719-38-8

    References

    • Wang, Teng; Jiao, Ning Journal of the American Chemical Society, 2013 , vol. 135, # 32 p. 11692 - 11695
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 135, # 32 p. 11692 - 11695
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 135, # 32 p. 11692 - 11695

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   3.71578
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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