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CS-W001157 4
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5-(4-Nitrophenyl)-2H-tetrazole

  • CAS No. 16687-60-8

  • Cat. No. CS-0128926
  • Purity≥98%
  • MDL No.MFCD00068729

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

5-(4-Nitrophenyl)-2H-tetrazole|CS-0128926

Structure of 16687-60-8

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General Information

  • CAS No. 16687-60-8
  • Cat. No. CS-0128926
  • Purity ≥98%
  • MDL No. MFCD00068729
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₅O₂
  • Molecular Weight 191.15
  • Synonym(s) 5-(4-Nitrophenyl)-1H-Tetrazole
  • SMILES O=N(=O)C=1C=CC(=CC1)C2=NN=NN2

Synthesis

  • Route1

    References

    • Akhlaghinia, Batool; Rezazadeh, Soodabeh Journal of the Brazilian Chemical Society, 2012 , vol. 23, # 12 p. 2197 - 2203
  • Route2
    • 4-Nitrobenzaldoxime|CS-0207291
      1129-37-9
    • ~78%
    • In-stock
      5-(4-Nitrophenyl)-2H-tetrazole|CS-0128926
      16687-60-8

    References

    • Patil, Umakant B.; Kumthekar, Kedar R.; Nagarkar, Jayashree M. Tetrahedron Letters, 2012 , vol. 53, # 29 p. 3706 - 3709
  • Route3

    References

    • Heravi, Majid M.; Fazeli, Azadeh; Oskooie, Hossein A.; Beheshtiha, Yahya S.; Valizadeh, Hassan Synlett, 2012 , vol. 23, # 20 p. 2927 - 2930

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅲ
Hazard Statements : H228-H315-H319
Precautionary Statements : P210-P240-P241-P264-P280-P302+P352-P362+P364-P370+P378

Quality Control

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Computational Chemistry Data

  • TPSA   97.6
  • LogP   0.7749
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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