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CS-W001157 4
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6-Oxo-6-phenylhexanenitrile

  • CAS No. 28353-03-9

  • Cat. No. CS-0582243
  • Purity≥98%
  • MDL No.None

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

6-Oxo-6-phenylhexanenitrile|CS-0582243

Structure of 28353-03-9

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General Information

  • CAS No. 28353-03-9
  • Cat. No. CS-0582243
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO
  • Molecular Weight 187.24
  • Synonym(s) None
  • SMILES C1=CC=C(C=C1)C(=O)CCCCC#N

Synthesis

  • Route1

    References

    • Wang, Teng; Jiao, Ning Journal of the American Chemical Society, 2013 , vol. 135, # 32 p. 11692 - 11695
  • Route2

    References

    • Hsieh, Jen-Chieh; Chen, Yen-Chung; Cheng, An-Yi; Tseng, Hsiao-Chun Organic Letters, 2012 , vol. 14, # 5 p. 1282 - 1285
  • Route3
    • 1-Phenylcyclopropan-1-ol|CS-0056020
      29526-96-3
    • null|null
      107-13-1
    • ~48%
    • 6-Oxo-6-phenylhexanenitrile|CS-0582243
      28353-03-9

    References

    • Iwasawa, Nobuharu; Hayakawa, Satoshi; Funahashi, Masahiro; Isobe, Koichi; Narasaka, Koichi Bulletin of the Chemical Society of Japan, 1993 , vol. 66, # 3 p. 819 - 827

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.95328
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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