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CS-W001157 4
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4-(2-Chloroacetyl)benzonitrile

  • CAS No. 40805-50-3

  • Cat. No. CS-0233860
  • Molecule weight179.60
  • Purity≥98%
  • MDL No.None

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

4-(2-Chloroacetyl)benzonitrile|CS-0233860

Structure of 40805-50-3

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General Information

  • CAS No. 40805-50-3
  • Cat. No. CS-0233860
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO
  • Molecular Weight 179.60
  • Synonym(s) Benzonitrile, 4-(chloroacetyl)- (9CI)
  • SMILES N#CC1=CC=C(C(CCl)=O)C=C1

Synthesis

  • Route1
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • ~76%
    • In-stock
      4-(2-Chloroacetyl)benzonitrile|CS-0233860
      40805-50-3

    References

    • Russell, Glen A.; Ros, Fransisco Journal of the American Chemical Society, 1985 , vol. 107, # 8 p. 2506 - 2511
  • Route2
    • null|null
      3490-50-4
    • ~%
    • In-stock
      4-(2-Chloroacetyl)benzonitrile|CS-0233860
      40805-50-3

    References

    • Wagner; Voigt Pharmazie, 1976 , vol. 31, # 6 p. 354 - 360
  • Route3
    • null|null
      619-65-8
    • ~%
    • In-stock
      4-(2-Chloroacetyl)benzonitrile|CS-0233860
      40805-50-3

    References

    • Goebel, Richard J.; Currie, Bruce L.; Bowers, Cyril Y. Journal of Medicinal Chemistry, 1981 , vol. 24, # 4 p. 366 - 370

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.97978
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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