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CS-W001157 4
Total: USD 88.00

2-Methyl-2-(4-nitrophenyl)propionitrile

  • CAS No. 71825-51-9

  • Cat. No. CS-B0354
  • Purity≥98%
  • MDL No.MFCD00844930

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

2-Methyl-2-(4-nitrophenyl)propionitrile|CS-B0354

Structure of 71825-51-9

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General Information

  • CAS No. 71825-51-9
  • Cat. No. CS-B0354
  • Purity ≥98%
  • MDL No. MFCD00844930
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₂
  • Molecular Weight 190.20
  • Synonym(s) benzeneacetonitrile, alpha,alpha-dimethyl-4-nitro-
  • SMILES N#CC(C)(C)C1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • null|null
      555-21-5
    • null|null
      74-88-4
    • ~98%
    • In-stock
      2-Methyl-2-(4-nitrophenyl)propionitrile|CS-B0354
      71825-51-9

    References

    • Axton, Christopher A.; Billingham, Michael E. J.; Bishop, Paul M.; Gallagher, Peter T.; Hicks, Terence A.; et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992 , # 17 p. 2203 - 2214
  • Route2
    • null|null
      74-88-4
    • ~52%
    • In-stock
      2-Methyl-2-(4-nitrophenyl)propionitrile|CS-B0354
      71825-51-9

    References

    • F2G LTD Patent: WO2006/123145 A1, 2006 ; Location in patent: Page/Page column 49-50 ;
  • Route3
    • In-stock
      Tetraethylammonium (bromide)|CS-W015124
      71-91-0
    • null|null
      555-21-5
    • null|null
      74-88-4
    • ~64%
    • In-stock
      2-Methyl-2-(4-nitrophenyl)propionitrile|CS-B0354
      71825-51-9

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: US2009/137595 A1, 2009 ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.39598
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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