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CS-W001157 4
Total: USD 88.00

3-(Iodomethyl)benzonitrile

  • CAS No. 69113-58-2

  • Cat. No. CS-0242160
  • Molecule weight243.04
  • Purity≥95%
  • MDL No.None

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

3-(Iodomethyl)benzonitrile|CS-0242160

Structure of 69113-58-2

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General Information

  • CAS No. 69113-58-2
  • Cat. No. CS-0242160
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆IN
  • Molecular Weight 243.04
  • Synonym(s) m-cyanobenzyl iodide
  • SMILES N#CC1=CC=CC(CI)=C1

Synthesis

  • Route1

    References

    • Ruso, Jayaraman Sembian; Rajendiran, Nagappan; Kumaran, Rajendran Senthil Journal of the Korean Chemical Society, 2014 , vol. 58, # 1 p. 39 - 43
  • Route2

    References

    • Zhou; Wang; Chang; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1991 , vol. 34, # 12 p. 3346 - 3350
  • Route3

    References

    • Poggi Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1925 , vol. <6> 2, p. 426

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H318-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.49328
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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