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CS-W001157 4
Total: USD 88.00

3-(1H-Imidazol-1-yl)aniline

  • CAS No. 112677-67-5

  • Cat. No. CS-0038863
  • Purity≥98%
  • MDL No.MFCD09258808

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

3-(1H-Imidazol-1-yl)aniline|CS-0038863

Structure of 112677-67-5

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General Information

  • CAS No. 112677-67-5
  • Cat. No. CS-0038863
  • Purity ≥98%
  • MDL No. MFCD09258808
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃
  • Molecular Weight 159.19
  • Synonym(s) 3-IMIDAZOL-1-YL-PHENYLAMINE
  • SMILES NC1=CC=CC(N2C=CN=C2)=C1

Description

3-(1H-Imidazol-1-yl)aniline features a strategically positioned imidazole ring that enhances both solubility and hydrogen-bonding capacity. This arrangement supports robust coordination in catalytic systems and facilitates integration into functionalized scaffolds for materials and pharmaceutical applications.

Synthesis

  • Route1
    • 1-(3-Nitrophenyl)-1H-imidazole|CS-0450186
      23309-09-3
    • ~99%
    • In-stock
      3-(1H-Imidazol-1-yl)aniline|CS-0038863
      112677-67-5

    References

    • EP1214319 B1, ; Page/Page column 14 ;
  • Route2
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • null|null
      591-19-5
    • ~97%
    • In-stock
      3-(1H-Imidazol-1-yl)aniline|CS-0038863
      112677-67-5

    References

    • Journal of the American Chemical Society, , vol. 129, # 45 p. 13879 - 13886
  • Route3
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • In-stock
      3-Aminophenylboronic acid|CS-W018320
      30418-59-8
    • ~22%
    • In-stock
      3-(1H-Imidazol-1-yl)aniline|CS-0038863
      112677-67-5

    References

    • Tetrahedron, , vol. 68, # 38 p. 7794 - 7798

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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   43.84
  • LogP   1.4545
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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