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CS-W001157 4
Total: USD 88.00

2,2-Dimethoxypropanenitrile

  • CAS No. 53981-66-1

  • Cat. No. CS-0147462
  • Molecule weight115.13
  • Purity≥98%
  • MDL No.None

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

2,2-Dimethoxypropanenitrile|CS-0147462

Structure of 53981-66-1

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General Information

  • CAS No. 53981-66-1
  • Cat. No. CS-0147462
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₂
  • Molecular Weight 115.13
  • Synonym(s) Propanenitrile,2,2-dimethoxy
  • SMILES CC(OC)(OC)C#N

Synthesis

  • Route1
    • null|null
      1445-45-0
    • null|null
      7677-24-9
    • ~67%
    • 2,2-Dimethoxypropanenitrile|CS-0147462
      53981-66-1

    References

    • Utimoto, Kiitiro; Wakabayashi, Yukio; Horiie,Takafumi; Inoue, Masaharu; Shishiyama, Yuho; et al. Tetrahedron, 1983 , vol. 39, # 6 p. 967 - 974
  • Route2
    • null|null
      1445-45-0
    • null|null
      74-90-8
    • ~%
    • 2,2-Dimethoxypropanenitrile|CS-0147462
      53981-66-1

    References

    • Erickson Journal of the American Chemical Society, 1951 , vol. 73, p. 1338
  • Route3
    • null|null
      1445-45-0
    • null|null
      74-90-8
    • null|null
      104-15-4
    • ~%
    • 2,2-Dimethoxypropanenitrile|CS-0147462
      53981-66-1

    References

    • Am.Cyanamid Co. Patent: US2519957 , 1949 ;

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-H412
Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P270-P271-P273-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362-P370+P378-P403+P233-P403+P235-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   0.51898
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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