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CS-W001157 4
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5-Methylisophthalonitrile

  • CAS No. 39718-07-5

  • Cat. No. CS-0367103
  • Molecule weight142.16
  • Purity≥98%
  • MDL No.None

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

5-Methylisophthalonitrile|CS-0367103

Structure of 39718-07-5

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General Information

  • CAS No. 39718-07-5
  • Cat. No. CS-0367103
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂
  • Molecular Weight 142.16
  • Synonym(s) 3,5-Dicyanotoluene
  • SMILES CC1=CC(=CC(=C1)C#N)C#N

Synthesis

  • Route1

    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 39 ; WO 2010/009047 A1
  • Route2

    References

    • Fisher; Dershem; Prewitt Journal of Organic Chemistry, 1990 , vol. 55, # 3 p. 1040 - 1043
  • Route3
    • 5-Methylbenzene-1,3-Dicarboxamide|CS-0766157
      90868-23-8
    • ~%
    • 5-Methylisophthalonitrile|CS-0367103
      39718-07-5

    References

    • Gryszkiewicz-Trochimowski; Schmidt; Gryszkiewicz-Trochimowski Bulletin de la Societe Chimique de France, <1948 593, 595

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   1.73838
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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