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CS-W001157 4
Total: USD 88.00

1,1,1-Tris(2-cyanoethyl)nitromethane

  • CAS No. 1466-48-4

  • Cat. No. CS-0158406
  • Purity≥97%
  • MDL No.MFCD00013830

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

1,1,1-Tris(2-cyanoethyl)nitromethane|CS-0158406

Structure of 1466-48-4

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General Information

  • CAS No. 1466-48-4
  • Cat. No. CS-0158406
  • Purity ≥97%
  • MDL No. MFCD00013830
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₄O₂
  • Molecular Weight 220.23
  • Synonym(s) 4-(2-Cyanoethyl)-4-nitroheptanedinitrile
  • SMILES C(CC(CCC#N)(CCC#N)[N+](=O)[O-])C#N

Description

Tris(2-cyanoethyl)nitromethane can be prepared from acrylonitrile and nitromethane using trimethyl phenyl ammonium hydroxide. Tris(2-cyanoethyl)nitromethane is an important building block for the construction of four directional C-core and in the synthesis of dendritic molecule.Tris(2-cyanoethyl)nitromethane may be used as starting reagent in the synthesis of 1-azoniatricyclo-(3,3,3,0)-undecane bromide.

Synthesis

  • Route1
    • null|null
      75-52-5
    • null|null
      107-13-1
    • ~84%
    • In-stock
      1,1,1-Tris(2-cyanoethyl)nitromethane|CS-0158406
      1466-48-4

    References

    • Newkome, George R.; Moorefield, Charles N.; Theriot, Kevin J. Journal of Organic Chemistry, 1988 , vol. 53, # 23 p. 5552 - 5554
  • Route2
    • null|null
      75-52-5
    • null|null
      107-13-1
    • ~%
    • null|null
      58763-41-0
    • In-stock
      1,1,1-Tris(2-cyanoethyl)nitromethane|CS-0158406
      1466-48-4

    References

    • I.G.Farbenind. Patent: DE728531 , 1940 ; DRP/DRBP Org.Chem.

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+H312+H332-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   114.51
  • LogP   1.91324
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   7

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