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CS-W001157 4
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2,2',2''-(2,4,6-Trimethylbenzene-1,3,5-triyl)triacetonitrile

  • CAS No. 16144-65-3

  • Cat. No. CS-0170388
  • Purity≥95%
  • MDL No.None

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

2,2',2''-(2,4,6-Trimethylbenzene-1,3,5-triyl)triacetonitrile|CS-0170388

Structure of 16144-65-3

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General Information

  • CAS No. 16144-65-3
  • Cat. No. CS-0170388
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₅N₃
  • Molecular Weight 237.30
  • Synonym(s) 2-[3,5-bis(cyanomethyl)-2,4,6-trimethylphenyl]acetonitrile
  • SMILES CC1=C(CC#N)C(C)=C(CC#N)C(C)=C1CC#N

Synthesis

  • Route1

    References

    • Podlaha, Jaroslav; Cisarova, Ivana; Alexander, Daniel; Holy, Petr; Kraus, Tomas; Zavada, Jiri Collection of Czechoslovak Chemical Communications, 2000 , vol. 65, # 10 p. 1587 - 1596
  • Route2

    References

    • Zhang, Jianyong; Miller, Philip W.; Nieuwenhuyzen, Mark; James, Stuart L. Chemistry - A European Journal, 2006 , vol. 12, # 9 p. 2448 - 2453
  • Route3
    • 1,3,5-Tris(chloromethyl)-2,4,6-trimethylbenzene|CS-0695879
      3849-01-2
    • ~%
    • 2,2',2''-(2,4,6-Trimethylbenzene-1,3,5-triyl)triacetonitrile|CS-0170388
      16144-65-3

    References

    • Rudenko, A. P.; Zarubin, M. Ya.; Fedorova, E. M. Journal of Organic Chemistry USSR (English Translation), 1985 , vol. 21, # 8 p. 1609 - 1618 Zhurnal Organicheskoi Khimii, 1985 , vol. 21, # 8 p. 1762 - 1772

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.37
  • LogP   2.8101
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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