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CS-W001157 4
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2-(5-Chloro-2-nitrophenyl)acetonitrile

  • CAS No. 72301-65-6

  • Cat. No. CS-0235427
  • Molecule weight196.59
  • Purity≥97%
  • MDL No.None

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

2-(5-Chloro-2-nitrophenyl)acetonitrile|CS-0235427

Structure of 72301-65-6

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General Information

  • CAS No. 72301-65-6
  • Cat. No. CS-0235427
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClN₂O₂
  • Molecular Weight 196.59
  • Synonym(s) 5-Chloro-2-nitrophenylacetonitrile
  • SMILES C1=C(C=C(CC#N)C(=C1)[N+](=O)[O-])Cl

Synthesis

  • Route1

    References

    • Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499
  • Route2
    • 1-Cyano-n,n,n-trimethylmethanaminium iodide|CS-0874630
      82272-28-4
    • null|null
      100-00-5
    • ~80%
    • 2-(5-Chloro-2-nitrophenyl)acetonitrile|CS-0235427
      72301-65-6

    References

    • Jonczyk, Andrzej; Kowalkowska, Anna Synthesis, 2002 , # 5 p. 674 - 680
  • Route3

    References

    • Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅰ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.31428
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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