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CS-W001157 4
Total: USD 88.00

2-Chloro-3-(4-nitrophenyl)propanenitrile

  • CAS No. 17849-31-9

  • Cat. No. CS-0219556
  • Purity≥98%
  • MDL No.None

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

2-Chloro-3-(4-nitrophenyl)propanenitrile|CS-0219556

Structure of 17849-31-9

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General Information

  • CAS No. 17849-31-9
  • Cat. No. CS-0219556
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClN₂O₂
  • Molecular Weight 210.62
  • Synonym(s) alpha-chloro-p-nitro-hydrocinnamonitril
  • SMILES C1=C(C=CC(=C1)[N+](=O)[O-])CC(C#N)Cl

Synthesis

  • Route1
    • null|null
      100-01-6
    • null|null
      107-13-1
    • ~82%
    • 2-Chloro-3-(4-nitrophenyl)propanenitrile|CS-0219556
      17849-31-9

    References

    • UCHREZHDENIE ROSSIISKOI AKADEMII NAUK INSTITUT MOLEKULYARNOI BIOLOGII IM. V.A. ENGELGARDTA RAN (IMB RAN) Patent: EP2157088 A1, 2010 ; Location in patent: Page/Page column 44-45 ;
  • Route2
    • null|null
      107-13-1
    • null|null
      92722-14-0
    • ~59%
    • 2-Chloro-3-(4-nitrophenyl)propanenitrile|CS-0219556
      17849-31-9

    References

    • Jasch, Hannelore; Hoefling, Sarah B.; Heinrich, Markus R. Journal of Organic Chemistry, 2012 , vol. 77, # 3 p. 1520 - 1532
  • Route3
    • null|null
      107-13-1
    • ~%
    • 2-Chloro-3-(4-nitrophenyl)propanenitrile|CS-0219556
      17849-31-9

    References

    • Koelsch Journal of the American Chemical Society, 1943 , vol. 65, p. 57 Full Text View citing articles Show Details Brunner; Perger Monatshefte fuer Chemie, 1948 , vol. 79, p. 187,196 Full Text Show Details Dombrowskii; Terent'ew; Jurkewitsch Zhurnal Obshchei Khimii, 1956 , vol. 26, p. 3214,3217 J. Gen. Chem. USSR (Engl. Transl.), 1956 , vol. 26, p. 3585,3587 Full Text Show Details Mueller Angewandte Chemie, 1949 , vol. 61, p. 179,183

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.26828
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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