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CS-W001157 4
Total: USD 88.00

2,6-Dinitrobenzonitrile

  • CAS No. 35213-00-4

  • Cat. No. CS-0132605
  • Purity≥97%
  • MDL No.MFCD00041246

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

2,6-Dinitrobenzonitrile|CS-0132605

Structure of 35213-00-4

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General Information

  • CAS No. 35213-00-4
  • Cat. No. CS-0132605
  • Purity ≥97%
  • MDL No. MFCD00041246
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃N₃O₄
  • Molecular Weight 193.12
  • Synonym(s) Dinitrobenzonitrile
  • SMILES N#CC1=C([N+]([O-])=O)C=CC=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Harris, Neil V.; Smith, Christopher; Bowden, Keith Journal of Medicinal Chemistry, 1990 , vol. 33, # 1 p. 434 - 444
  • Route2
    • null|null
      108583-52-4
    • ~98%
    • 2,6-Dinitrobenzonitrile|CS-0132605
      35213-00-4

    References

    • Mai, Khuong; Path, Ghanshyam Synthesis, 1986 , # 12 p. 1037 - 1038
  • Route3
    • N-(1-hydroxy-2-methylpropan-2-yl)benzamide|CS-0316375
      19312-05-1
    • ~91%
    • 2,6-Dinitrobenzonitrile|CS-0132605
      35213-00-4
    • null|null
      1093205-98-1

    References

    • SENOMYX, INC. Patent: US2012/41078 A1, 2012 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312-H315-H319-H332-H373
Precautionary Statements : P260-P261-P405-P501

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Computational Chemistry Data

  • TPSA   110.07
  • LogP   1.37468
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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