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CS-W001157 4
Total: USD 88.00

4-(1H-Pyrrol-1-yl)benzoic acid

  • CAS No. 22106-33-8

  • Cat. No. CS-0073064
  • Purity≥97%
  • MDL No.None

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

4-(1H-Pyrrol-1-yl)benzoic acid|CS-0073064

Structure of 22106-33-8

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General Information

  • CAS No. 22106-33-8
  • Cat. No. CS-0073064
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.19
  • Synonym(s) OTAVA-BB BB7020410154
  • SMILES O=C(O)C1=CC=C(C=C1)N2C=CC=C2

Synthesis

  • Route1
    • null|null
      109-97-7
    • In-stock
      4-Iodobenzoic acid|CS-W014112
      619-58-9
    • ~70%
    • In-stock
      4-(1H-Pyrrol-1-yl)benzoic acid|CS-0073064
      22106-33-8

    References

    • Panda, Niranjan; Jena, Ashis Kumar; Mohapatra, Sasmita; Rout, Smruti Ranjan Tetrahedron Letters, 2011 , vol. 52, # 16 p. 1924 - 1927
  • Route2
    • null|null
      696-59-3
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~66%
    • In-stock
      4-(1H-Pyrrol-1-yl)benzoic acid|CS-0073064
      22106-33-8

    References

    • Liu, Kun; Lu, Hong; Hou, Ling; Qi, Zhi; Teixeira, Catia; Barbault, Florent; Fan, Bo-Tao; Liu, Shuwen; Jiang, Shibo; Xie, Lan Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 7843 - 7854
  • Route3
    • In-stock
      1-(4-Bromophenyl)-1H-pyrrole|CS-0042018
      5044-39-3
    • null|null
      124-38-9
    • ~%
    • In-stock
      4-(1H-Pyrrol-1-yl)benzoic acid|CS-0073064
      22106-33-8
    • 2-Bromo-5-(1H-pyrrol-1-yl)benzoic acid|CS-1701754
      354115-80-3

    References

    • Journal of the Chemical Society. Perkin Transactions 1, , # 9 p. 1039 - 1043

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.23
  • LogP   2.1755
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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