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CS-W001157 4
Total: USD 88.00

Ethyl cyano(cyclohexyl)acetate

  • CAS No. 3213-50-1

  • Cat. No. CS-0116778
  • Molecule weight195.26
  • Purity≥97%
  • MDL No.None

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

Ethyl cyano(cyclohexyl)acetate|CS-0116778

Structure of 3213-50-1

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General Information

  • CAS No. 3213-50-1
  • Cat. No. CS-0116778
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇NO₂
  • Molecular Weight 195.26
  • Synonym(s) Ethyl 2-cyano-2-cyclohexylacetate
  • SMILES O=C(OCC)C(C#N)C1CCCCC1

Synthesis

  • Route1
    • Ethyl 2-cyano-2-cyclohexylideneacetate|CS-W010687
      6802-76-2
    • ~82%
    • Ethyl cyano(cyclohexyl)acetate|CS-0116778
      3213-50-1

    References

    • Ranu, Brindaban C.; Samanta, Sampak Tetrahedron, 2003 , vol. 59, # 40 p. 7901 - 7906
  • Route2
    • null|null
      105-56-6
    • null|null
      110-83-8
    • ~80%
    • Ethyl cyano(cyclohexyl)acetate|CS-0116778
      3213-50-1

    References

    • Kagayama, Takashi; Fuke, Takahiro; Sakaguchi, Satoshi; Ishii, Yasutaka Bulletin of the Chemical Society of Japan, 2005 , vol. 78, # 9 p. 1673 - 1676
  • Route3
    • null|null
      108-94-1
    • null|null
      105-56-6
    • ~97%
    • Ethyl cyano(cyclohexyl)acetate|CS-0116778
      3213-50-1

    References

    • Ramachary, Dhevalapally B.; Kishor; Reddy, G. Babul Organic and Biomolecular Chemistry, 2006 , vol. 4, # 9 p. 1641 - 1646

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   2.26958
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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