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CS-W001157 4
Total: USD 88.00

1-Methyl-4-oxocyclohexanecarbonitrile

  • CAS No. 121955-82-6

  • Cat. No. CS-0028401
  • Purity≥98%
  • MDL No.None

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

1-Methyl-4-oxocyclohexanecarbonitrile|CS-0028401

Structure of 121955-82-6

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General Information

  • CAS No. 121955-82-6
  • Cat. No. CS-0028401
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO
  • Molecular Weight 137.18
  • Synonym(s) 1-Methyl-4-oxocyclohexane-1-carbonitrile
  • SMILES N#CC1(C)CCC(CC1)=O

Synthesis

  • Route1
    • 8-Methyl-1,4-dioxaspiro[4.5]decane-8-carbonitrile|CS-0184195
      914780-97-5
    • ~71%
    • In-stock
      1-Methyl-4-oxocyclohexanecarbonitrile|CS-0028401
      121955-82-6

    References

    • VIROCHEM PHARMA INC. Patent: WO2006/119646 A1, 2006 ; Location in patent: Page/Page column 146; 147 ;
  • Route2
    • null|null
      143-33-9
    • null|null
      589-92-4
    • ~30%
    • In-stock
      1-Methyl-4-oxocyclohexanecarbonitrile|CS-0028401
      121955-82-6
    • null|null
      933-45-9

    References

    • Troyanskii, E. I.; Mizintsev, V. V.; Samoshin, V. V.; Lutsenko, A. I.; Svyatkin, V. A.; Nikishin, G. I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989 , vol. 38, # 2 p. 294 - 300 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989 , vol. 38, # 2 p. 344 - 351
  • Route3

    References

    • Troyanskii, E. I.; Mizintsev, V. V.; Samoshin, V. V.; Lutsenko, A. I.; Svyatkin, V. A.; Nikishin, G. I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989 , vol. 38, # 2 p. 294 - 300 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989 , vol. 38, # 2 p. 344 - 351

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.65938
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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