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CS-W001157 4
Total: USD 88.00

2-(3-Methyl-2-nitrophenyl)acetonitrile

  • CAS No. 91192-25-5

  • Cat. No. CS-0279452
  • Purity95+%
  • MDL No.None

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

2-(3-Methyl-2-nitrophenyl)acetonitrile|CS-0279452

Structure of 91192-25-5

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General Information

  • CAS No. 91192-25-5
  • Cat. No. CS-0279452
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) Benzeneacetonitrile,3-methyl-2-nitro
  • SMILES CC1=C(C(=CC=C1)CC#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • WARNER-LAMBERT COMPANY LLC Patent: WO2004/41793 A1, 2004 ; Location in patent: Page 64 ; WO 2004/041793 A1
  • Route2

    References

    • Kalir, Asher; Mualem, Rivka Synthesis, 1987 , # 5 p. 514 - 515
  • Route3
    • null|null
      81-20-9
    • ~%
    • 2-(3-Methyl-2-nitrophenyl)acetonitrile|CS-0279452
      91192-25-5

    References

    • Piozzi,F. et al. Gazzetta Chimica Italiana, 1963 , vol. 93, p. 3 - 14

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   1.9693
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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