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CS-W001157 4
Total: USD 88.00

2-(4-Methoxy-2-nitrophenyl)acetonitrile

  • CAS No. 105003-90-5

  • Cat. No. CS-0316708
  • Molecule weight192.17
  • Purity95+%
  • MDL No.None

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

2-(4-Methoxy-2-nitrophenyl)acetonitrile|CS-0316708

Structure of 105003-90-5

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General Information

  • CAS No. 105003-90-5
  • Cat. No. CS-0316708
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₃
  • Molecular Weight 192.17
  • Synonym(s) (4-METHOXY-2-NITROPHENYL)ACETONITRILE
  • SMILES COC1=CC(=C(C=C1)CC#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Hryhorenko, Eric; Sankaran, Banumathi; DeCory, Thomas R.; Tubbs, Theresa; Colt, Linda; Remmerie, Bart M.; Salter, Rhys; Lin, Ronghui Patent: US2014/57299 A1, 2014 ; Location in patent: Page/Page column ;
  • Route2

    References

    • WARNER-LAMBERT COMPANY LLC Patent: WO2006/103559 A1, 2006 ; Location in patent: Page/Page column 45 ; WO 2006/103559 A1
  • Route3
    • null|null
      105-56-6
    • 1-Chloro-4-methoxy-2-nitrobenzene Iguratimod Impurity|CS-0514516
      10298-80-3
    • ~21%
    • 2-(4-Methoxy-2-nitrophenyl)acetonitrile|CS-0316708
      105003-90-5

    References

    • Loewe, Werner; Witzel, Sonja; Tappmeyer, Silvia; Albuschat, Rica Journal of Heterocyclic Chemistry, 2004 , vol. 41, # 3 p. 317 - 326

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   76.16
  • LogP   1.66948
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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