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

  • CAS No. 6926-51-8

  • Cat. No. CS-0331339
  • Purity≥98%
  • MDL No.None

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

5-(4-Methoxyphenyl)-2H-tetrazole|CS-0331339

Structure of 6926-51-8

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General Information

  • CAS No. 6926-51-8
  • Cat. No. CS-0331339
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₄O
  • Molecular Weight 176.18
  • Synonym(s) 5-(4-methoxyphenyl)tetrazolidine
  • SMILES COC1=CC=C(C=C1)C2=NNN=N2

Synthesis

  • Route1

    References

    • Patil, Umakant B.; Kumthekar, Kedar R.; Nagarkar, Jayashree M. Tetrahedron Letters, 2012 , vol. 53, # 29 p. 3706 - 3709
  • Route2

    References

    • Schmidt, Boris; Meid, Daniela; Kieser, Daniel Tetrahedron, 2007 , vol. 63, # 2 p. 492 - 496
  • Route3
    • 4-Methoxybenzaldehyde, ≥ 99% GC|CS-0676496
      123-11-5
    • ~95%
    • In-stock
      5-(4-Methoxyphenyl)-2H-tetrazole|CS-0331339
      6926-51-8

    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

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Computational Chemistry Data

  • TPSA   63.69
  • LogP   0.8753
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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