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CS-W001157 4
Total: USD 88.00

2-(4-Nitrobenzyl)malononitrile

  • CAS No. 6731-53-9

  • Cat. No. CS-0574582
  • Purity≥98%
  • MDL No.None

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

2-(4-Nitrobenzyl)malononitrile|CS-0574582

Structure of 6731-53-9

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General Information

  • CAS No. 6731-53-9
  • Cat. No. CS-0574582
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇N₃O₂
  • Molecular Weight 201.18
  • Synonym(s) nitrobenzylmalononitrile
  • SMILES C1=CC(=CC=C1CC(C#N)C#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Feng, Yi-Si; Yang, Chun-Yan; Huang, Qiang; Xu, Hua-Jian Tetrahedron, 2012 , vol. 68, # 25 p. 5053 - 5059
  • Route2

    References

    • Zhang, Ze; Gao, Jie; Xia, Jing-Jing; Wang, Guan-Wu Organic and Biomolecular Chemistry, 2005 , vol. 3, # 9 p. 1617 - 1619
  • Route3

    References

    • Itoh, Kazuyoshi; Ishida, Hideaki; Chikashita, Hidenori Chemistry Letters, 1982 , p. 1117 - 1118

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

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Computational Chemistry Data

  • TPSA   90.72
  • LogP   1.80066
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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