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CS-W001157 4
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3-(3-Oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanenitrile

  • CAS No. 23866-12-8

  • Cat. No. CS-0333515
  • Molecule weight202.21
  • Purity≥97%
  • MDL No.None

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

3-(3-Oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanenitrile|CS-0333515

Structure of 23866-12-8

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General Information

  • CAS No. 23866-12-8
  • Cat. No. CS-0333515
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂
  • Molecular Weight 202.21
  • Synonym(s) 3-[2H-1,4-Benzoxazin-3(4H)-one-4-yl]propionitrile
  • SMILES C1=CC=C2C(=C1)N(CCC#N)C(=O)CO2

Synthesis

  • Route1
    • In-stock
      2H-1,4-Benzoxazin-3(4H)-one|CS-W002455
      5466-88-6
    • null|null
      107-13-1
    • ~%
    • In-stock
      3-(3-Oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanenitrile|CS-0333515
      23866-12-8

    References

    • Techer,H. et al. Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1969 , vol. 269, p. 564 - 566

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   1.32568
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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