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CS-W001157 4
Total: USD 88.00

4-(1H-Tetrazol-5-yl)phenol

  • CAS No. 51517-88-5

  • Cat. No. CS-0127977
  • Purity≥98%
  • MDL No.MFCD05662709

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

4-(1H-Tetrazol-5-yl)phenol|CS-0127977

Structure of 51517-88-5

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General Information

  • CAS No. 51517-88-5
  • Cat. No. CS-0127977
  • Purity ≥98%
  • MDL No. MFCD05662709
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₄O
  • Molecular Weight 162.15
  • Synonym(s) 4-(1,2-dihydrotetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
  • SMILES OC=1C=CC(=CC1)C2=NN=NN2

Synthesis

  • Route1
    • 4-Hydroxybenzaldehyde oxime|CS-0160830
      699-06-9
    • ~90%
    • In-stock
      4-(1H-Tetrazol-5-yl)phenol|CS-0127977
      51517-88-5

    References

    • Patil, Umakant B.; Kumthekar, Kedar R.; Nagarkar, Jayashree M. Tetrahedron Letters, 2012 , vol. 53, # 29 p. 3706 - 3709
  • Route2
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~91%
    • In-stock
      4-(1H-Tetrazol-5-yl)phenol|CS-0127977
      51517-88-5

    References

    • Shelkar, Radheshyam; Singh, Abhilash; Nagarkar, Jayashree Tetrahedron Letters, 2013 , vol. 54, # 1 p. 106 - 109
  • Route3
    • p-Hydroxybenzaldehyde Bisoprolol Impurity|CS-0229513
      123-08-0
    • ~82%
    • In-stock
      4-(1H-Tetrazol-5-yl)phenol|CS-0127977
      51517-88-5

    References

    • Sridhar, Madabhushi; Mallu, Kishore Kumar Reddy; Jillella, Raveendra; Godala, Kondalreddy; Beeram, Chinaramanaiah; Chinthala, Narsaiah Synthesis (Germany), 2013 , vol. 45, # 4 art. no. SS-2012-Z0887-OP, p. 507 - 510

Safety Information

Download SDS
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   74.69
  • LogP   0.5723
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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