146-80-5

Name XANTHOSINE
CAS 146-80-5
EINECS(EC#) 205-679-9
Molecular Formula C10H12N4O6
MDL Number MFCD00005726
Molecular Weight 284.23
MOL File 146-80-5.mol
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Chemical Properties

Melting point  174～176℃
density  2.25±0.1 g/cm3(Predicted)
refractive index  -52 ° (C=8, 0.3mol/L NaOH)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
pka pK1:<2.5(+1);pK2:5.67(0);pK3:12.00(-1) (25°C)
color  White to Off-White
Merck  10065
Stability: Hygroscopic
InChI 1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
InChIKey UBORTCNDUKBEOP-UUOKFMHZSA-N
SMILES O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(NC(N3)=O)=O)O[C@@H]1CO
CAS DataBase Reference 146-80-5(CAS DataBase Reference)

Safety Data

Safety Statements 
WGK Germany  3
HS Code  29349990
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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