119-44-8

Name XANTHOPTERIN
CAS 119-44-8
EINECS(EC#) 204-325-0
Molecular Formula C6H5N5O2
MDL Number MFCD00151241
Molecular Weight 179.14
MOL File 119-44-8.mol
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Chemical Properties

Melting point  410 C
Boiling point  311.64°C (rough estimate)
density  1.5590
refractive index  1.9900 (estimate)
storage temp.  Store at -20°C
solubility  PBS (pH 7.2): 10 mg/ml
form  Solid
pka 6.59(at 20℃)
color  Light yellow to brown
Water Solubility  25mg/L(22.5 ºC)
InChI InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKey VURKRJGMSKJIQX-UHFFFAOYSA-N
SMILES N1C2=C(NC(=O)C=N2)C(=O)NC=1N

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
HS Code  2933990099

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Hazard Information

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