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CS-W001157 4
Total: USD 88.00

3-(1H-Tetrazol-5-yl)benzoic acid

  • CAS No. 73096-39-6

  • Cat. No. CS-0101784
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD03821131

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

3-(1H-Tetrazol-5-yl)benzoic acid|CS-0101784

Structure of 73096-39-6

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General Information

  • CAS No. 73096-39-6
  • Cat. No. CS-0101784
  • Purity ≥97%
  • MDL No. MFCD03821131
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₄O₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=CC(C2=NN=NN2)=C1

Synthesis

  • Route1
    • null|null
      848001-37-6
    • ~59%
    • In-stock
      3-(1H-Tetrazol-5-yl)benzoic acid|CS-0101784
      73096-39-6

    References

    • Carter, Percy H.; Cherney, Robert J.; Batt, Douglas G.; Brown, Gregory D.; Duncia, John V.; Gardner, Daniel S.; Yang, Michael G. Patent: US2005/54626 A1, 2005 ; Location in patent: Page/Page column 44 ; US 20050054626 A1
  • Route2
    • In-stock
      m-Cyanobenzoic acid|CS-D1397
      1877-72-1
    • null|null
      75-36-5
    • ~74%
    • In-stock
      3-(1H-Tetrazol-5-yl)benzoic acid|CS-0101784
      73096-39-6

    References

    • Goldstein, Steven Wayne; Lowe III, John Adams; Longo, Kelly Porter; Awad, Mohamed Mohamed Ali; Subramanyam, Chakrapani; Dorff, Peter Hans Patent: US2003/191279 A1, 2003 ; US 20030191279 A1
  • Route3

    References

    • ChemMedChem, , vol. 7, # 10 p. 1825 - 1839

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS01
Signal Word : Danger
UN#: 1479
Class : 5.1
Packing Group : Ⅱ
Hazard Statements : H240
Precautionary Statements : P210-P234-P235-P240-P280-P370+P372+P380+P373-P403-P410-P420-P501

Quality Control

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Computational Chemistry Data

  • TPSA   91.76
  • LogP   0.5649
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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