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CS-W001157 4
Total: USD 88.00

Chloromethyl octanoate

  • CAS No. 61413-70-5

  • Cat. No. CS-0580575
  • Purity≥98%
  • MDL No.None

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

Chloromethyl octanoate|CS-0580575

Structure of 61413-70-5

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General Information

  • CAS No. 61413-70-5
  • Cat. No. CS-0580575
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₇ClO₂
  • Molecular Weight 192.68
  • Synonym(s) Octanoic acid, chloromethyl ester
  • SMILES CCCCCCCC(=O)OCCl

Synthesis

  • Route1

    References

    • LANDCARE RESEARCH NEW ZEALAND LIMITED; HOPKINS, Brian; BOVA, Sergio; CAVALLI, Maurizio; LAITA, Olivia; BRIMBLE, Margaret Anne; RENNISON, David Patent: WO2013/133726 A1, 2013 ; Location in patent: Page/Page column 76 ;
  • Route2

    References

    • LANDCARE RESEARCH NEW ZEALAND LIMITED; HOPKINS, Brian; BOVA, Sergio; CAVALLI, Maurizio; LAITA, Olivia; BRIMBLE, Margaret Anne; RENNISON, David Patent: WO2013/133726 A1, 2013 ; Location in patent: Page/Page column 77 ;
  • Route3

    References

    • Nudelman, Abraham; Ruse, Margaretta; Aviram, Adina; Rabizadeh, Ester; Shaklai, Matityahu; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 4 p. 687 - 694

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   26.3
  • LogP   3.0864
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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