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CS-W001157 4
Total: USD 88.00

2-(2,6-Dichloro-4-nitrophenyl)acetonitrile

  • CAS No. 88135-30-2

  • Cat. No. CS-0496999
  • Molecule weight231.04
  • Purity≥98%
  • MDL No.MFCD09030031

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

2-(2,6-Dichloro-4-nitrophenyl)acetonitrile|CS-0496999

Structure of 88135-30-2

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General Information

  • CAS No. 88135-30-2
  • Cat. No. CS-0496999
  • Purity ≥98%
  • MDL No. MFCD09030031
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄Cl₂N₂O₂
  • Molecular Weight 231.04
  • Synonym(s) 2,6-DICHLORO-4-NITROBENZENEACETONITRILE
  • SMILES N#CCC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl

Synthesis

  • Route1
    • In-stock
      1,2,3-Trichloro-5-nitrobenzene|CS-0127963
      20098-48-0
    • null|null
      105-56-6
    • ~96%
    • In-stock
      2-(2,6-Dichloro-4-nitrophenyl)acetonitrile|CS-0496999
      88135-30-2

    References

    • ADDEX PHARMA SA Patent: WO2008/117175 A2, 2008 ; Location in patent: Page/Page column 147-148 ; WO 2008/117175 A2
  • Route2

    References

    • IRM LLC Patent: WO2005/34869 A2, 2005 ; Location in patent: Page/Page column 28 ; WO 2005/034869 A2
  • Route3

    References

    • Freyne, Eddy J.; Lacrampe, Jean F.; Deroose, Frederik; Boeckx, Gustaaf M.; Willems, Marc; Embrechts, Werner; Coesemans, Erwin; Willems, Johan J.; Fortin, Jerome M.; Ligney, Yannick; Dillen, Lieve L.; Cools, Willy F.; Goossens, Jan; Corens, David; De Groot, Alex; Van Wauwe, Jean P. Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 2167 - 2175

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-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.96768
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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