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CS-W001157 4
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2-Ethyl-2-methylbutanenitrile

  • CAS No. 21864-76-6

  • Cat. No. CS-0247530
  • Molecule weight111.18
  • Purity≥95%
  • MDL No.None

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

2-Ethyl-2-methylbutanenitrile|CS-0247530

Structure of 21864-76-6

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General Information

  • CAS No. 21864-76-6
  • Cat. No. CS-0247530
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃N
  • Molecular Weight 111.18
  • Synonym(s) 2-ethyl-2-methyl-butanenitrile
  • SMILES CCC(C)(CC)C#N

Synthesis

  • Route1
    • null|null
      74-96-4
    • null|null
      107-12-0
    • ~35%
    • 2-Ethyl-2-methylbutanenitrile|CS-0247530
      21864-76-6

    References

    • Langhals, Heinz; Ruechardt, Christoph Chemische Berichte, 1981 , vol. 114, # 12 p. 3831 - 3854
  • Route2
    • null|null
      13947-77-8
    • ~%
    • 2-Ethyl-2-methylbutanenitrile|CS-0247530
      21864-76-6

    References

    • Saegusa,T. et al. Journal of Organic Chemistry, 1969 , vol. 34, # 12 p. 4040 - 4046
  • Route3
    • null|null
      59346-52-0
    • null|null
      77-78-1
    • ~%
    • 2-Ethyl-2-methylbutanenitrile|CS-0247530
      21864-76-6

    References

    • Le Borgne,J.F. et al. Synthesis, 1976 , p. 238 - 240

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 3273
Class : 3 (6.1)
Packing Group : Ⅱ
Hazard Statements : H226-H302-H312-H315-H319-H332-H335
Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362-P370+P378-P403+P233-P403+P235-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.33628
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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