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CS-W001157 4
Total: USD 88.00

2-Methyl-6-nitrobenzonitrile

  • CAS No. 1885-76-3

  • Cat. No. CS-0199013
  • Purity≥98%
  • MDL No.None

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

2-Methyl-6-nitrobenzonitrile|CS-0199013

Structure of 1885-76-3

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General Information

  • CAS No. 1885-76-3
  • Cat. No. CS-0199013
  • 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) 6-Nitro-o-tolunitrile
  • SMILES CC1=C(C#N)C(=CC=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • TEIJIN LIMITED Patent: US2005/267148 A1, 2005 ;
  • Route2
    • null|null
      557-21-1
    • In-stock
      2-Chloro-3-nitrotoluene|CS-W002415
      3970-40-9
    • ~85%
    • In-stock
      2-Methyl-6-nitrobenzonitrile|CS-0199013
      1885-76-3

    References

    • Littke, Adam; Soumeillant, Maxime; Kaltenbach III, Robert F.; Cherney, Robert J.; Tarby, Christine M.; Kiau, Susanne Organic Letters, 2007 , vol. 9, # 9 p. 1711 - 1714
  • Route3
    • null|null
      544-16-1
    • null|null
      83-41-0
    • ~%
    • In-stock
      2-Methyl-6-nitrobenzonitrile|CS-0199013
      1885-76-3

    References

    • US6469176 B1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-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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