5486-03-3

Name buquinolate
CAS 5486-03-3
EINECS(EC#) 226-814-8
Molecular Formula C20H27NO5
MDL Number MFCD00680170
Molecular Weight 361.43
MOL File 5486-03-3.mol
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Chemical Properties

Appearance Crystals.
Melting point  288-291°
Boiling point  460.8±40.0 °C(Predicted)
density  1.138±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  Methanol (Very Slightly, Heated)
form  Solid
pka 2.54±0.50(Predicted)
color  Pale Yellow to Light Yellow
Major Application forensics and toxicology
veterinary
InChI 1S/C20H27NO5/c1-6-24-20(23)15-9-21-16-8-18(26-11-13(4)5)17(25-10-12(2)3)7-14(16)19(15)22/h7-9,12-13H,6,10-11H2,1-5H3,(H,21,22)
InChIKey LVVXOXRUTDAKFE-UHFFFAOYSA-N
SMILES n1c2c(c(c(c1)C(=O)OCC)O)cc(c(c2)OCC(C)C)OCC(C)C
EPA Substance Registry System Buquinolate (5486-03-3)

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Safety Profile
When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Information

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