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CS-W001157 4
Total: USD 88.00

3-(4-Chlorophenyl)cyclohex-2-en-1-one

  • CAS No. 91398-51-5

  • Cat. No. CS-0246874
  • Purity≥95%
  • MDL No.None

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

3-(4-Chlorophenyl)cyclohex-2-en-1-one|CS-0246874

Structure of 91398-51-5

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General Information

  • CAS No. 91398-51-5
  • Cat. No. CS-0246874
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁ClO
  • Molecular Weight 206.67
  • Synonym(s) 2-Cyclohexen-1-one, 3-(4-chlorophenyl)-
  • SMILES O=C1C=C(C2=CC=C(Cl)C=C2)CCC1

Synthesis

  • Route1
    • null|null
      930-68-7
    • In-stock
      NSC 25408|CS-D1133
      1679-18-1
    • ~12%
    • In-stock
      3-(4-Chlorophenyl)cyclohex-2-en-1-one|CS-0246874
      91398-51-5
    • 3-(4-Chlorophenyl)cyclohexan-1-one|CS-0945388
      136333-71-6

    References

    • Cho, Chan Sik; Motofusa, Shin-ichi; Ohe, Kouichi; Uemura, Sakae; Shim, Sang Chul Journal of Organic Chemistry, 1995 , vol. 60, # 4 p. 883 - 888
  • Route2
    • null|null
      930-68-7
    • In-stock
      1-Chloro-4-iodobenzene|CS-W007395
      637-87-6
    • ~58%
    • In-stock
      3-(4-Chlorophenyl)cyclohex-2-en-1-one|CS-0246874
      91398-51-5

    References

    • Kantchev, Eric Assen B.; Peh, Guang-Rong; Zhang, Chi; Ying, Jackie Y. Organic Letters, 2008 , vol. 10, # 18 p. 3949 - 3952
  • Route3
    • null|null
      930-68-7
    • In-stock
      NSC 25408|CS-D1133
      1679-18-1
    • ~93%
    • In-stock
      3-(4-Chlorophenyl)cyclohex-2-en-1-one|CS-0246874
      91398-51-5

    References

    • Gottumukkala, Aditya L.; Teichert, Johannes F.; Heijnen, Dorus; Eisink, Niek; Van Dijk, Simon; Ferrer, Catalina; Van Den Hoogenband, Adri; Minnaard, Adriaan J. Journal of Organic Chemistry, 2011 , vol. 76, # 9 p. 3498 - 3501

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.4764
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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