2226517-75-3

Name Pyrazolo[1,5-a]quinazoline-3-carbonitrile, 2-[1-(4-chlorophenyl)cyclopropyl]-4,5-dihydro-7-iodo-5-oxo-
CAS 2226517-75-3
Molecular Formula C20H12ClIN4O
Molecular Weight 486.69
MOL File 2226517-75-3.mol
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Chemical Properties

Boiling point  551.3±50.0 °C(Predicted)
density  1.88±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO|9.73|20|
form  Solid
pka 10.96±0.20(Predicted)
color  White to off-white
InChI 1S/C20H12ClIN4O/c21-12-3-1-11(2-4-12)20(7-8-20)17-15(10-23)18-24-19(27)14-9-13(22)5-6-16(14)26(18)25-17/h1-6,9H,7-8H2,(H,24,27)
InChIKey VABPBCMFKJDOHP-UHFFFAOYSA-N
SMILES IC1=CC=C(N2C(NC3=O)=C(C#N)C(C4(CC4)C5=CC=C(Cl)C=C5)=N2)C3=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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