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CS-W001157 4
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1-(2-Iodoethyl)-3-methylbenzene

  • CAS No. 114686-67-8

  • Cat. No. CS-0509515
  • Molecule weight246.09
  • Purity≥98%
  • MDL No.None

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

1-(2-Iodoethyl)-3-methylbenzene|CS-0509515

Structure of 114686-67-8

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General Information

  • CAS No. 114686-67-8
  • Cat. No. CS-0509515
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁I
  • Molecular Weight 246.09
  • Synonym(s) 3-Methylphenethyl iodide
  • SMILES CC1=CC(CCI)=CC=C1

Synthesis

  • Route1
    • null|null
      101615-41-2
    • ~73%
    • 1-(2-Iodoethyl)-3-methylbenzene|CS-0509515
      114686-67-8

    References

    • McNeilab, Inc. Patent: EP256888 B1, 1991 ;
  • Route2

    References

    • Lanni Jr., Thomas B.; Greene, Keri L.; Kolz, Christine N.; Para, Kimberly S.; Visnick, Melean; Mobley, James L.; Dudley, David T.; Baginski, Theodore J.; Liimatta, Marya B. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 756 - 760
  • Route3

    References

    • Lanni Jr., Thomas B.; Greene, Keri L.; Kolz, Christine N.; Para, Kimberly S.; Visnick, Melean; Mobley, James L.; Dudley, David T.; Baginski, Theodore J.; Liimatta, Marya B. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 756 - 760

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.97252
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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