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CS-W001157 4
Total: USD 88.00

2-Methyl-5-nitrobenzonitrile

  • CAS No. 939-83-3

  • Cat. No. CS-W002113
  • Purity≥97%
  • MDL No.MFCD00017040

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

2-Methyl-5-nitrobenzonitrile|CS-W002113

Structure of 939-83-3

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General Information

  • CAS No. 939-83-3
  • Cat. No. CS-W002113
  • Purity ≥97%
  • MDL No. MFCD00017040
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) 5-Nitro-o-tolunitrile; 2-Methyl-5-nitrobenzonitrile
  • SMILES N#Cc1cc(ccc1C)[N+](=O)[O-]

Synthesis

  • Route1
    • In-stock
      2-Bromo-1-methyl-4-nitrobenzene|CS-W009519
      7745-93-9
    • null|null
      557-21-1
    • ~42%
    • In-stock
      2-Methyl-5-nitrobenzonitrile|CS-W002113
      939-83-3

    References

    • Kung, Pei-Pei; Funk, Lee; Meng, Jerry; Collins, Michael; Zhou, Joe Zhongxiang; Catherine Johnson; Ekker, Anne; Wang, Jeff; Mehta, Pramod; Yin, Min-Jean; Rodgers, Caroline; Davies II, Jay F.; Bayman, Eileen; Smeal, Tod; Maegley, Karen A.; Gehring, Michael R. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 23 p. 6273 - 6278
  • Route2
    • In-stock
      2-Bromo-1-methyl-4-nitrobenzene|CS-W009519
      7745-93-9
    • null|null
      105-56-6
    • ~44%
    • In-stock
      2-Methyl-5-nitrobenzonitrile|CS-W002113
      939-83-3

    References

    • Zheng, Shuyan; Yu, Chunhui; Shen, Zhengwu Organic Letters, 2012 , vol. 14, # 14 p. 3644 - 3647
  • Route3
    • null|null
      529-19-1
    • ~91%
    • In-stock
      2-Methyl-5-nitrobenzonitrile|CS-W002113
      939-83-3

    References

    • Li, Chien-Le; Shieh, Shwu-Ju; Lin, Shien-Chang; Liu, Rai-Shung Organic Letters, 2003 , vol. 5, # 7 p. 1131 - 1134

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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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