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CS-W001157 4
Total: USD 88.00

3-Methylpentanenitrile

  • CAS No. 21101-88-2

  • Cat. No. CS-0243767
  • Molecule weight97.16
  • Purity≥95%
  • MDL No.None

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

3-Methylpentanenitrile|CS-0243767

Structure of 21101-88-2

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General Information

  • CAS No. 21101-88-2
  • Cat. No. CS-0243767
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁N
  • Molecular Weight 97.16
  • Synonym(s) Pentanenitrile,3-methyl
  • SMILES CCC(C)CC#N

Synthesis

  • Route1

    References

    • Yin, Weiyu; Wang, Chengming; Huang, Yong Organic Letters, 2013 , vol. 15, # 8 p. 1850 - 1853
  • Route2
    • null|null
      7309-45-7
    • ~%
    • 3-Methylpentanenitrile|CS-0243767
      21101-88-2

    References

    • Mosher,W.A. et al. Journal of the Chemical Society [Section] C: Organic, 1969 , p. 121 - 124
  • Route3
    • null|null
      75-05-8
    • ~%
    • 3-Methylpentanenitrile|CS-0243767
      21101-88-2

    References

    • Ziegler Patent: DE570594 , 1930 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 19, p. 338

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 3273
Class : 3 (6.1)
Packing Group : Ⅱ
Hazard Statements : H226-H301
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P280-P303+P361+P353-P330-P370+P378-P403+P235-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.94618
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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