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2-(2-Cyanatophenyl)acetonitrile

  • CAS No. 88975-95-5

  • Cat. No. CS-0458602
  • Molecule weight158.16
  • Purity≥98%
  • MDL No.None

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

2-(2-Cyanatophenyl)acetonitrile|CS-0458602

Structure of 88975-95-5

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General Information

  • CAS No. 88975-95-5
  • Cat. No. CS-0458602
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O
  • Molecular Weight 158.16
  • Synonym(s) Cyanic acid, 2-(cyanomethyl)phenyl ester
  • SMILES N#COC1=CC=CC=C1CC#N

Synthesis

  • Route1

    References

    • Maeda; Ohsugi; Fujioka; Hirose Chemical and Pharmaceutical Bulletin, 1983 , vol. 31, # 10 p. 3424 - 3445

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.81
  • LogP   1.61256
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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