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CS-W001157 4
Total: USD 88.00

2-(3-Nitrobenzylidene)malononitrile

  • CAS No. 2826-32-6

  • Cat. No. CS-0110444
  • Molecule weight199.17
  • Purity95+%
  • MDL No.None

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

2-(3-Nitrobenzylidene)malononitrile|CS-0110444

Structure of 2826-32-6

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General Information

  • CAS No. 2826-32-6
  • Cat. No. CS-0110444
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅N₃O₂
  • Molecular Weight 199.17
  • Synonym(s) (3-Nitrobenzylidene)malononitrile
  • SMILES N#C/C(C#N)=C/C1=CC=CC([N+]([O-])=O)=C1

Synthesis

  • Route1
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      109-77-3
    • ~99%
    • 2-(3-Nitrobenzylidene)malononitrile|CS-0110444
      2826-32-6

    References

    • Gao, Zhe; Zhou, Jian; Cui, Fangming; Zhu, Yan; Hua, Zile; Shi, Jianlin Dalton Transactions, 2010 , vol. 39, # 46 p. 11132 - 11135
  • Route2
    • null|null
      108620-98-0
    • null|null
      109-77-3
    • ~61%
    • 2-(3-Nitrobenzylidene)malononitrile|CS-0110444
      2826-32-6

    References

    • Sidhu, Anjali; Sharma; Rai, Mangat Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2010 , vol. 49, # 2 p. 247 - 250

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   90.72
  • LogP   2.02536
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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