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CS-W001157 4
Total: USD 88.00

2-(3-Nitrophenyl)acetonitrile

  • CAS No. 621-50-1

  • Cat. No. CS-W004829
  • Purity≥96%
  • MDL No.MFCD00041249

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

2-(3-Nitrophenyl)acetonitrile|CS-W004829

Structure of 621-50-1

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General Information

  • CAS No. 621-50-1
  • Cat. No. CS-W004829
  • Purity ≥96%
  • MDL No. MFCD00041249
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) 3-Nitrophenylacetonitrile
  • SMILES N#CCC1=CC=CC([N+]([O-])=O)=C1

Description

3-Nitrophenylacetonitrile is a builing block. Reactions of 3-nitrophenylacetonitrile with isopropyl alcohol, cyclohexyl alcohol and benzyl alcohol at high temperature have been reported.

Synthesis

  • Route1
    • 2-(3-Nitrophenyl)acetamide|CS-0209472
      5247-25-6
    • ~40%
    • In-stock
      2-(3-Nitrophenyl)acetonitrile|CS-W004829
      621-50-1

    References

    • IMOTEP INC. Patent: WO2004/106292 A1, 2004 ; Location in patent: Page 94-95 ;
  • Route2
    • null|null
      619-23-8
    • ~%
    • In-stock
      2-(3-Nitrophenyl)acetonitrile|CS-W004829
      621-50-1
    • In-stock
      3-Nitrophenylacetic acid|CS-W001143
      1877-73-2

    References

    • US4015011 A1, ;
  • Route3
    • null|null
      143-33-9
    • In-stock
      1-(Bromomethyl)-3-nitrobenzene|CS-W007452
      3958-57-4
    • ~%
    • In-stock
      2-(3-Nitrophenyl)acetonitrile|CS-W004829
      621-50-1

    References

    • WO2007/18941 A2, ; Page/Page column 43-44 ; WO 2007/018941 A2

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
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   1.66088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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