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2-(Methoxymethyl)benzonitrile

  • CAS No. 57991-54-5

  • Cat. No. CS-0246072
  • Molecule weight147.17
  • Purity95+%
  • MDL No.None

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

2-(Methoxymethyl)benzonitrile|CS-0246072

Structure of 57991-54-5

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General Information

  • CAS No. 57991-54-5
  • Cat. No. CS-0246072
  • Purity 95+%
  • 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) 2-methoxymethyl-benzonitrile
  • SMILES COCC1=CC=CC=C1C#N

Synthesis

  • Route1

    References

    • Selassie, Cynthia Dias; Gan, Wei-Xi; Kallander, Lara S.; Klein, Teri E. Journal of Medicinal Chemistry, 1998 , vol. 41, # 22 p. 4261 - 4272
  • Route2

    References

    • Mann; Stewart Journal of the Chemical Society, 1954 , p. 2819,2824
  • Route3
    • null|null
      124-41-4
    • 2-Cyanobenzyl chloride|CS-0015378
      612-13-5
    • ~%
    • 2-(Methoxymethyl)benzonitrile|CS-0246072
      57991-54-5

    References

    • v.Braun; Zobel Chemische Berichte, 1923 , vol. 56, p. 694

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-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.70468
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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