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CS-W001157 4
Total: USD 88.00

o-Tolyloxyacetonitrile

  • CAS No. 50635-21-7

  • Cat. No. CS-0152946
  • Molecule weight147.17
  • Purity≥97%
  • MDL No.None

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

o-Tolyloxyacetonitrile|CS-0152946

Structure of 50635-21-7

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General Information

  • CAS No. 50635-21-7
  • Cat. No. CS-0152946
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO
  • Molecular Weight 147.17
  • Synonym(s) O-Tolyoxyacetonitrile
  • SMILES CC1=CC=CC=C1OCC#N

Synthesis

  • Route1
    • null|null
      107-14-2
    • null|null
      95-48-7
    • ~94%
    • o-Tolyloxyacetonitrile|CS-0152946
      50635-21-7

    References

    • Barkin, Julia L.; Faust Jr., Marcus D.; Trenkle, William C. Organic Letters, 2003 , vol. 5, # 18 p. 3333 - 3335
  • Route2
    • null|null
      95-48-7
    • null|null
      590-17-0
    • ~93%
    • o-Tolyloxyacetonitrile|CS-0152946
      50635-21-7

    References

    • Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh ACS Combinatorial Science, 2014 , vol. 16, # 2 p. 85 - 91
  • Route3
    • 2-(O-tolyloxy)acetamide|CS-0293050
      22560-43-6
    • ~%
    • o-Tolyloxyacetonitrile|CS-0152946
      50635-21-7

    References

    • Higginbotham; Stephen Journal of the Chemical Society, 1920 , vol. 117, p. 1541

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.8974
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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