331859-86-0

Name CHROMECEPTIN
CAS 331859-86-0
Molecular Formula C19H16F3N3O
MDL Number MFCD00815850
Molecular Weight 359.35
MOL File 331859-86-0.mol

Chemical Properties

Melting point  199-200 °C(Solv: ethanol (64-17-5))
Boiling point  497.2±45.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  H2O: <2mg/mL
form  solid
pka 4.23±0.70(Predicted)
color  yellow to brown
Water Solubility  H2O: <2mg/mL
DMSO: >20mg/mL
InChI 1S/C19H16F3N3O/c1-25(2)13-6-7-14-16(9-13)26-18(24)15(10-23)17(14)11-4-3-5-12(8-11)19(20,21)22/h3-9,17H,24H2,1-2H3
InChIKey GVINXTXGDDSXFQ-UHFFFAOYSA-N
SMILES CN(C)c1ccc2C(c3cccc(c3)C(F)(F)F)C(C#N)=C(N)Oc2c1

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

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