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CS-W001157 4
Total: USD 88.00

2-Phenyl-1H-imidazole-5-carboxylic acid

  • CAS No. 77498-98-7

  • Cat. No. CS-D0591
  • Purity≥98%
  • MDL No.MFCD06203404

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

2-Phenyl-1H-imidazole-5-carboxylic acid|CS-D0591

Structure of 77498-98-7

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General Information

  • CAS No. 77498-98-7
  • Cat. No. CS-D0591
  • Purity ≥98%
  • MDL No. MFCD06203404
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₂
  • Molecular Weight 188.18
  • Synonym(s) 2-phenyl-1H-imidazole-5-carboxylic acid hydrate
  • SMILES O=C(O)C1=CN=C(C2=CC=CC=C2)N1

Synthesis

  • Route1
    • 2-Phenyl-5-(trifluoromethyl)-1H-imidazole|CS-0089724
      33469-36-2
    • ~%
    • 2-Phenyl-1H-imidazole-5-carboxylic acid|CS-D0591
      77498-98-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 24, # 1 p. 262 - 267
  • Route2

    References

    • Sivek, Roman; Pytela, Oldrich; Bures, Filip Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 6 p. 1621 - 1627
  • Route3
    • null|null
      110-89-4
    • 2-Phenyl-5-(trifluoromethyl)-1H-imidazole|CS-0089724
      33469-36-2
    • ~%
    • 2-Phenyl-1H-imidazole-5-carboxylic acid|CS-D0591
      77498-98-7
    • null|null
      1221277-42-4

    References

    • Organic Letters, , vol. 12, # 9 p. 2024 - 2027

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.7749
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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