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CS-W001157 4
Total: USD 88.00

3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile

  • CAS No. 13610-55-4

  • Cat. No. CS-0247271
  • Molecule weight188.18
  • Purity95+%
  • MDL No.None

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

3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile|CS-0247271

Structure of 13610-55-4

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General Information

  • CAS No. 13610-55-4
  • Cat. No. CS-0247271
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₂
  • Molecular Weight 188.18
  • Synonym(s) 2-oxo-3(2H)-benzoxazolinepropionitrile
  • SMILES C1=CC=C2C(=C1)N(CCC#N)C(=O)O2

Synthesis

  • Route1
    • null|null
      41246-17-7
    • null|null
      76-02-8
    • ~83%
    • 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile|CS-0247271
      13610-55-4

    References

    • Ram, Ram N.; Soni, Vineet Kumar Journal of Organic Chemistry, 2013 , vol. 78, # 23 p. 11935 - 11947
  • Route2

    References

    • D'Amico, John J.; Bollinger, Frederic G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1487 - 1496
  • Route3
    • null|null
      100-65-2
    • ~%
    • 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile|CS-0247271
      13610-55-4

    References

    • Journal of Organic Chemistry, , vol. 78, # 23 p. 11935 - 11947

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   58.93
  • LogP   1.50818
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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