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CS-W001157 4
Total: USD 88.00

2-(4-Nitrophenyl)-1,3,4-oxadiazole

  • CAS No. 4291-13-8

  • Cat. No. CS-0206373
  • Molecule weight191.14
  • Purity≥98%
  • MDL No.MFCD00491617

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

2-(4-Nitrophenyl)-1,3,4-oxadiazole|CS-0206373

Structure of 4291-13-8

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General Information

  • CAS No. 4291-13-8
  • Cat. No. CS-0206373
  • Purity ≥98%
  • MDL No. MFCD00491617
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃O₃
  • Molecular Weight 191.14
  • Synonym(s) None
  • SMILES C1=C(C=CC(=C1)[N+](=O)[O-])C2=NN=CO2

Synthesis

  • Route1
    • null|null
      636-97-5
    • null|null
      122-51-0
    • ~75%
    • 2-(4-Nitrophenyl)-1,3,4-oxadiazole|CS-0206373
      4291-13-8

    References

    • AGIOS PHARMACEUTICALS, INC.; POPOVICI-MULLER, Janeta; SALITURO, Francesco, G.; SAUNDERS, Jeffrey, O.; TRAVINS, Jeremey; YAN, Shunqi Patent: WO2012/9678 A1, 2012 ; Location in patent: Page/Page column 220-221 ; WO 2012/009678 A1
  • Route2

    References

    • Povazanec, Frantisek; Kovac, Jaroslav; Svoboda, Jozef Collection of Czechoslovak Chemical Communications, 1980 , vol. 45, # 4 p. 1299 - 1300
  • Route3

    References

    • Nowak-Wydra, Barbara; Gierczyk, Blazej; Schroeder, Grzegorz Magnetic Resonance in Chemistry, 2003 , vol. 41, # 9 p. 689 - 692

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   82.06
  • LogP   1.6448
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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