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CS-W001157 4
Total: USD 88.00

4-(4-Bromophenyl)-4-oxobutanenitrile

  • CAS No. 51765-77-6

  • Cat. No. CS-0308177
  • Purity≥97%
  • MDL No.None

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

4-(4-Bromophenyl)-4-oxobutanenitrile|CS-0308177

Structure of 51765-77-6

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General Information

  • CAS No. 51765-77-6
  • Cat. No. CS-0308177
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO
  • Molecular Weight 238.08
  • Synonym(s) 4-(4-BROMOPHENYL)-4-OXOBUTYRONITRILE
  • SMILES C(CC(=O)C1=CC=C(C=C1)Br)C#N

Synthesis

  • Route1
    • null|null
      107-13-1
    • ~39%
    • 4-(4-Bromophenyl)-4-oxobutanenitrile|CS-0308177
      51765-77-6

    References

    • Sierra; Del Amo; Mancheno; Gomez-Gallego Journal of the American Chemical Society, 2001 , vol. 123, # 5 p. 851 - 861
  • Route2

    References

    • Sierra; Mancheno; Saez; Del Amo Journal of the American Chemical Society, 1998 , vol. 120, # 27 p. 6812 - 6813
  • Route3

    References

    • Japan Tobacco Inc. Patent: EP885869 A1, 1998 ;

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.93558
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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