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CS-W001157 4
Total: USD 88.00

1-(1H-imidazol-1-yl)propan-1-one

  • CAS No. 4122-52-5

  • Cat. No. CS-0547929
  • Molecule weight124.14
  • Purity≥98%
  • MDL No.None

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

1-(1H-imidazol-1-yl)propan-1-one|CS-0547929

Structure of 4122-52-5

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General Information

  • CAS No. 4122-52-5
  • Cat. No. CS-0547929
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O
  • Molecular Weight 124.14
  • Synonym(s) N-Propionylimidazole
  • SMILES CCC(=O)N1C=CN=C1

Synthesis

  • Route1
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • null|null
      79-03-8
    • ~%
    • 1-(1H-imidazol-1-yl)propan-1-one|CS-0547929
      4122-52-5

    References

    • Staab Chemische Berichte, 1956 , vol. 89, p. 1931,1939 Justus Liebigs Annalen der Chemie, 1959 , vol. 622, p. 31,33
  • Route2
    • null|null
      802294-64-0
    • null|null
      530-62-1
    • ~%
    • 1-(1H-imidazol-1-yl)propan-1-one|CS-0547929
      4122-52-5

    References

    • Gerecke, Max; Kyburz, Emilio; Borer, Rene; Gassner, Walter Heterocycles, 1994 , vol. 39, # 2 p. 693 - 722

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅱ
Hazard Statements : H225-H302-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   0.9333
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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