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Ethyl 2-(3-cyanophenyl)acetate

  • CAS No. 210113-91-0

  • Cat. No. CS-0568720
  • Purity≥98%
  • MDL No.MFCD09953132

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

Ethyl 2-(3-cyanophenyl)acetate|CS-0568720

Structure of 210113-91-0

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General Information

  • CAS No. 210113-91-0
  • Cat. No. CS-0568720
  • Purity ≥98%
  • MDL No. MFCD09953132
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 3-Cyanophenylacetic acid ethyl ester
  • SMILES O=C(OCC)CC1=CC=CC(C#N)=C1

Synthesis

  • Route1

    References

    • Pfizer Inc. Patent: US6288120 B1, 2001 ;
  • Route2

    References

    • Song, Bingrui; Rudolphi, Felix; Himmler, Thomas; Goossen, Lukas J. Advanced Synthesis and Catalysis, 2011 , vol. 353, # 9 p. 1565 - 1574
  • Route3

    References

    • Feng, Yi-Si; Wu, Wei; Xu, Zhong-Qiu; Li, Yan; Li, Ming; Xu, Hua-Jian Tetrahedron, 2012 , vol. 68, # 9 p. 2113 - 2120

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.66388
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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