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5-Acetoacetlamino benzimdazolone Structure

5-Acetoacetlamino benzimdazolone

Chemical Properties

Melting point 350°C
Boiling point 371.0±35.0 °C(Predicted)
Density  1.369±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Dimethylformamide
form  powder to crystal
pka 11.02±0.46(Predicted)
color  White to Almost white
InChI InChI=1S/C11H11N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)(H2,13,14,17)
InChIKey VEMDQCGHZNXORX-UHFFFAOYSA-N
SMILES C(NC1=CC=C2NC(=O)NC2=C1)(=O)CC(=O)C
CAS DataBase Reference 26576-46-5(CAS DataBase Reference)
NIST Chemistry Reference (2H)Benzimidazol-2-one,1,3-dihydro-5-acetoacetyl-amino-(26576-46-5)
EPA Substance Registry System Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo- (26576-46-5)

Safety Information

TSCA  TSCA listed
HS Code  2933.99.8290

Usage And Synthesis

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