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CS-W001157 4
Total: USD 88.00

Ethyl 4-(2-cyanophenyl)benzoate

  • CAS No. 501427-88-9

  • Cat. No. CS-0211376
  • Molecule weight251.28
  • Purity≥97%
  • MDL No.MFCD21332965

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

Ethyl 4-(2-cyanophenyl)benzoate|CS-0211376

Structure of 501427-88-9

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General Information

  • CAS No. 501427-88-9
  • Cat. No. CS-0211376
  • Purity ≥97%
  • MDL No. MFCD21332965
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃NO₂
  • Molecular Weight 251.28
  • Synonym(s) ethyl 2'-cyanobiphenyl-4-carboxylate
  • SMILES O=C(OCC)C1=CC=C(C2=CC=CC=C2C#N)C=C1

Synthesis

  • Route1

    References

    • Li, Wu; Xu, Zhipeng; Sun, Peipei; Jiang, Xiaoqing; Fang, Min Organic Letters, 2011 , vol. 13, # 6 p. 1286 - 1289
  • Route2

    References

    • Amatore, Muriel; Gosmini, Corinne Angewandte Chemie - International Edition, 2008 , vol. 47, # 11 p. 2089 - 2092
  • Route3

    References

    • Gomes, Paulo; Fillon, Hyacinthe; Gosmini, Corinne; Labbe, Eric; Perichon, Jacques Tetrahedron, 2002 , vol. 58, # 42 p. 8417 - 8424

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   50.09
  • LogP   3.40198
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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