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CS-W001157 4
Total: USD 88.00

5-Oxohexanenitrile

  • CAS No. 10412-98-3

  • Cat. No. CS-0446855
  • Purity≥98%
  • MDL No.None

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

5-Oxohexanenitrile|CS-0446855

Structure of 10412-98-3

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General Information

  • CAS No. 10412-98-3
  • Cat. No. CS-0446855
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉NO
  • Molecular Weight 111.14
  • Synonym(s) Hexanenitrile, 5-oxo-
  • SMILES CC(=O)CCCC#N

Synthesis

  • Route1

    References

    • Mizushima, Eiichiro; Hayashi, Teruyuki; Sato, Kazuhiko; Tanaka, Masato Patent: US2005/143597 A1, 2005 ; Location in patent: Page/Page column 7 ;
  • Route2
    • Hex-5-enenitrile|CS-0327133
      5048-19-1
    • ~89%
    • In-stock
      5-Oxohexanenitrile|CS-0446855
      10412-98-3

    References

    • Mitsudome, Takato; Umetani, Takuya; Nosaka, Naoya; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi Angewandte Chemie - International Edition, 2006 , vol. 45, # 3 p. 481 - 485
  • Route3
    • null|null
      765-42-4
    • null|null
      19158-51-1
    • ~96%
    • In-stock
      5-Oxohexanenitrile|CS-0446855
      10412-98-3

    References

    • Hoshikawa, Tamaki; Yoshioka, Shun; Kamijo, Shin; Inoue, Masayuki Synthesis (Germany), 2013 , vol. 45, # 7 art. no. SS-2012-Z0984-FA, p. 874 - 887

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+H312+H332-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.26928
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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