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CS-W001157 4
Total: USD 88.00

2-Methyl-3-nitrobenzonitrile

  • CAS No. 71516-35-3

  • Cat. No. CS-0199465
  • Purity≥98%
  • MDL No.None

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

2-Methyl-3-nitrobenzonitrile|CS-0199465

Structure of 71516-35-3

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General Information

  • CAS No. 71516-35-3
  • Cat. No. CS-0199465
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) None
  • SMILES CC1=C(C=CC=C1[N+](=O)[O-])C#N

Synthesis

  • Route1
    • In-stock
      1-Bromo-2-methyl-3-nitrobenzene|CS-W014875
      55289-35-5
    • null|null
      105-56-6
    • ~88%
    • In-stock
      2-Methyl-3-nitrobenzonitrile|CS-0199465
      71516-35-3

    References

    • Zheng, Shuyan; Yu, Chunhui; Shen, Zhengwu Organic Letters, 2012 , vol. 14, # 14 p. 3644 - 3647
  • Route2
    • null|null
      529-19-1
    • ~13%
    • In-stock
      2-Methyl-5-nitrobenzonitrile|CS-W002113
      939-83-3
    • In-stock
      2-Methyl-3-nitrobenzonitrile|CS-0199465
      71516-35-3

    References

    • Journal of the Chemical Society, Perkin Transactions 1, , # 16 p. 2753 - 2758
  • Route3
    • null|null
      151-50-8
    • In-stock
      2-Methyl-3-nitroaniline|CS-M0044
      603-83-8
    • ~%
    • In-stock
      2-Methyl-3-nitrobenzonitrile|CS-0199465
      71516-35-3

    References

    • Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, , vol. 53, # 2 p. 141 - 150

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311-H315-H319-H335
Precautionary Statements : P261-P280-P330

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   1.7749
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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