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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 204196-80-5

  • Cat. No. CS-0073482
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00574247

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

3-(1H-Tetrazol-1-yl)benzoic acid|CS-0073482

Structure of 204196-80-5

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General Information

  • CAS No. 204196-80-5
  • Cat. No. CS-0073482
  • Purity ≥98%
  • MDL No. MFCD00574247
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₄O₂
  • Molecular Weight None
  • Synonym(s) IFLAB-BB F0452-1361
  • SMILES O=C(O)C1=CC=CC(N2N=NN=C2)=C1

Synthesis

  • Route1
    • null|null
      168618-33-5
    • ~%
    • In-stock
      3-(1H-Tetrazol-1-yl)benzoic acid|CS-0073482
      204196-80-5

    References

    • Aventis Pharmaceuticals Inc. Patent: EP946548 B1, 2002 ; EP 0946548 B1
  • Route2
    • In-stock
      3-Aminobenzoic acid|CS-W019987
      99-05-8
    • null|null
      122-51-0
    • ~91%
    • In-stock
      3-(1H-Tetrazol-1-yl)benzoic acid|CS-0073482
      204196-80-5

    References

    • Aridoss, Gopalakrishnan; Laali, Kenneth K. European Journal of Organic Chemistry, 2011 , # 15 p. 2827 - 2835

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-H302
Precautionary Statements : P210-P240-P241-P264-P270-P280-P330-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.9
  • LogP   0.3605
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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