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CS-W001157 4
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Benzo[d]oxazole-2-carbonitrile

  • CAS No. 3313-37-9

  • Cat. No. CS-0199868
  • Molecule weight144.13
  • Purity≥97%
  • MDL No.None

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

Benzo[d]oxazole-2-carbonitrile|CS-0199868

Structure of 3313-37-9

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General Information

  • CAS No. 3313-37-9
  • Cat. No. CS-0199868
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂O
  • Molecular Weight 144.13
  • Synonym(s) 2-CYANO-BENZO[D]OXAZOLE
  • SMILES C1=CC=C2C(=C1)N=C(C#N)O2

Synthesis

  • Route1
    • null|null
      773837-37-9
    • 2-Iodobenzo[d]oxazole|CS-0567979
      102675-92-3
    • ~%
    • Benzo[d]oxazole-2-carbonitrile|CS-0199868
      3313-37-9

    References

    • Do, Hien-Quang; Daugulis, Olafs Organic Letters, 2010 , vol. 12, # 11 p. 2517 - 2519
  • Route2
    • null|null
      70391-00-3
    • ~%
    • Benzo[d]oxazole-2-carbonitrile|CS-0199868
      3313-37-9

    References

    • Kristinsson,H. Synthesis, 1979 , p. 102 - 103
  • Route3
    • null|null
      95-55-6
    • ~%
    • Benzo[d]oxazole-2-carbonitrile|CS-0199868
      3313-37-9

    References

    • Frere, Stephane; Thiery, Valerie; Bailly, Christian; Besson, Thierry Tetrahedron, 2003 , vol. 59, # 6 p. 773 - 779

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

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Computational Chemistry Data

  • TPSA   49.82
  • LogP   1.69948
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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