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CS-W001157 4
Total: USD 88.00

2-(4-Nitrophenoxy)acetonitrile

  • CAS No. 33901-46-1

  • Cat. No. CS-0358753
  • Molecule weight178.14
  • Purity95+%
  • MDL No.None

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

2-(4-Nitrophenoxy)acetonitrile|CS-0358753

Structure of 33901-46-1

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General Information

  • CAS No. 33901-46-1
  • Cat. No. CS-0358753
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) 4-Nitrophenoxyacetonitrile
  • SMILES C1=C(C=CC(=C1)OCC#N)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      100-02-7
    • null|null
      590-17-0
    • ~96%
    • 2-(4-Nitrophenoxy)acetonitrile|CS-0358753
      33901-46-1

    References

    • RIGEL PHARMACEUTICALS, INC. Patent: WO2007/30680 A2, 2007 ; Location in patent: Page/Page column 144 ; WO 2007/030680 A2
  • Route2
    • null|null
      100-02-7
    • null|null
      107-14-2
    • ~%
    • 2-(4-Nitrophenoxy)acetonitrile|CS-0358753
      33901-46-1

    References

    • Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, , vol. 11, # 8 p. 443 - 446
  • Route3
    • null|null
      107-14-2
    • null|null
      824-78-2
    • ~%
    • 2-(4-Nitrophenoxy)acetonitrile|CS-0358753
      33901-46-1

    References

    • J. Med. Chem., , vol. 6, p. 343 - 346

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.16
  • LogP   1.49718
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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