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3-Chloro-5-methylbenzonitrile

  • CAS No. 189161-09-9

  • Cat. No. CS-0134444
  • Purity≥97%
  • MDL No.MFCD09800704

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

3-Chloro-5-methylbenzonitrile|CS-0134444

Structure of 189161-09-9

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General Information

  • CAS No. 189161-09-9
  • Cat. No. CS-0134444
  • Purity ≥97%
  • MDL No. MFCD09800704
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClN
  • Molecular Weight 151.59
  • Synonym(s) Benzonitrile, 3-chloro-5-methyl-
  • SMILES N#CC1=CC(C)=CC(Cl)=C1

Synthesis

  • Route1
    • null|null
      557-21-1
    • In-stock
      5-Bromo-3-chlorotoluene|CS-0030598
      329944-72-1
    • ~52%
    • In-stock
      3-Chloro-5-methylbenzonitrile|CS-0134444
      189161-09-9

    References

    • KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; KIM, Choung, U.; MITCHELL, Michael, L.; SON, Jong, Chan Patent: WO2010/9047 A1, 2010 ; Location in patent: Page/Page column 40 ; WO 2010/009047 A1
  • Route2
    • null|null
      557-21-1
    • In-stock
      2-(3-Chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0368938
      502630-89-9
    • ~%
    • In-stock
      3-Chloro-5-methylbenzonitrile|CS-0134444
      189161-09-9

    References

    • Liskey, Carl W.; Liao, Xuebin; Hartwig, John F. Journal of the American Chemical Society, 2010 , vol. 132, # 33 p. 11389 - 11391
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 11 p. 1634 - 1647

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.5201
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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