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CS-W001157 4
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2-(4-Chlorophenyl)-1h-1,3-benzodiazole-5-carboxylic acid

  • CAS No. 174422-14-1

  • Cat. No. CS-0224661
  • Purity≥97%
  • MDL No.None

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

2-(4-Chlorophenyl)-1h-1,3-benzodiazole-5-carboxylic acid|CS-0224661

Structure of 174422-14-1

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General Information

  • CAS No. 174422-14-1
  • Cat. No. CS-0224661
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉ClN₂O₂
  • Molecular Weight 272.69
  • Synonym(s) 2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylic acid
  • SMILES C1=C(C=CC(=C1)Cl)C2=NC3=C(C=CC(=C3)C(=O)O)N2

Synthesis

  • Route1

    References

    • Rostamizadeh, Shahnaz; Aryan, Reza; Ghaieni, Hamid Reza Synthetic Communications, 2011 , vol. 41, # 12 p. 1794 - 1804
  • Route2

    References

    • Qi, Yunkun; Ma, Ruixin; Li, Xin; Hu, Yue; Ma, Siti; Cong, Chao; Ma, Xiaodong; Cui, Wenping; Ma, Shutao Letters in Drug Design and Discovery, 2011 , vol. 8, # 10 p. 966 - 971
  • Route3

    References

    • Wang, Shu-Liang; Cheng, Chuang; Wu, Fei-Yue; Jiang, Bo; Shi, Feng; Tu, Shu-Jiang; Rajale, Trideep; Li, Guigen Tetrahedron, 2011 , vol. 67, # 25 p. 4485 - 4493

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   3.5815
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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