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CS-W001157 4
Total: USD 88.00

2,2-Dimethylhexanenitrile

  • CAS No. 55897-65-9

  • Cat. No. CS-0453616
  • Purity≥98%
  • MDL No.None

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

2,2-Dimethylhexanenitrile|CS-0453616

Structure of 55897-65-9

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General Information

  • CAS No. 55897-65-9
  • Cat. No. CS-0453616
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅N
  • Molecular Weight 125.21
  • Synonym(s) Hexanenitrile,2,2-dimethyl
  • SMILES CCCCC(C)(C)C#N

Synthesis

  • Route1
    • null|null
      109-65-9
    • null|null
      78-82-0
    • ~65%
    • 2,2-Dimethylhexanenitrile|CS-0453616
      55897-65-9

    References

    • Langhals, Heinz; Ruechardt, Christoph Chemische Berichte, 1981 , vol. 114, # 12 p. 3831 - 3854
  • Route2
    • null|null
      78-82-0
    • null|null
      542-69-8
    • ~%
    • 2,2-Dimethylhexanenitrile|CS-0453616
      55897-65-9

    References

    • Cuvigny,T.; Normant,H. Organometallics in Chemical Synthesis, 1971 , vol. 1, p. 237 - 247
  • Route3
    • 6-Iodo-2,2-dimethylhexanenitrile|CS-1050113
      56475-48-0
    • ~%
    • 2,2-Dimethylhexanenitrile|CS-0453616
      55897-65-9

    References

    • Larcheveque,M. et al. Journal of Organometallic Chemistry, 1975 , vol. 87, p. 25 - 31

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H302+H312+H332-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.72638
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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