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CS-W001157 4
Total: USD 88.00

Cyanomethyl benzoate

  • CAS No. 939-56-0

  • Cat. No. CS-0361233
  • Purity95+%
  • MDL No.None

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

Cyanomethyl benzoate|CS-0361233

Structure of 939-56-0

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General Information

  • CAS No. 939-56-0
  • Cat. No. CS-0361233
  • Purity 95+%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) BENZOIC ACID CYANOMETHYL ESTER
  • SMILES C1=CC=C(C=C1)C(=O)OCC#N

Synthesis

  • Route1

    References

    • Byers, Jeffrey H.; Baran, Robert C.; Craig, Molly E.; Jackman, John T. Organic Preparations and Procedures International, 1991 , vol. 23, # 3 p. 373 - 374
  • Route2
    • null|null
      98-88-4
    • null|null
      107-16-4
    • ~75%
    • Cyanomethyl benzoate|CS-0361233
      939-56-0

    References

    • Taniguchi, Takahiko; Miyata, Kenichi; Kubo, Osamu Patent: US2010/69351 A1, 2010 ; Location in patent: Page/Page column 58 ;
  • Route3
    • null|null
      40796-19-8
    • null|null
      151-50-8
    • ~98%
    • Cyanomethyl benzoate|CS-0361233
      939-56-0

    References

    • Katritzky, Alan R.; Abdel-Fattah, Ashraf A.A.; Idzik, Krzysztof R.; El-Gendy, Bahaa El-Dien M.; Soloducho, Jadwiga Tetrahedron, 2007 , vol. 63, # 28 p. 6477 - 6484

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   1.36698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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