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CS-W001157 4
Total: USD 88.00

3-Iodo-4-methylbenzonitrile

  • CAS No. 42872-79-7

  • Cat. No. CS-0119963
  • Purity≥98%
  • MDL No.MFCD06797817

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

3-Iodo-4-methylbenzonitrile|CS-0119963

Structure of 42872-79-7

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General Information

  • CAS No. 42872-79-7
  • Cat. No. CS-0119963
  • Purity ≥98%
  • MDL No. MFCD06797817
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆IN
  • Molecular Weight 243.04
  • Synonym(s) 4-Cyano-2-iodotoluene
  • SMILES N#CC1=CC=C(C)C(I)=C1

Synthesis

  • Route1
    • 3-Iodo-4-methylbenzamide|CS-0323824
      269411-70-3
    • ~78%
    • In-stock
      3-Iodo-4-methylbenzonitrile|CS-0119963
      42872-79-7

    References

    • Laboratorios Almirall, S.A. Patent: EP2108641 A1, 2009 ; Location in patent: Page/Page column 59 ;
  • Route2

    References

    • Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 612 - 626

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.4713
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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