1,3,5-Triazine-2,4,6(1H,3H,5H)-trione


Chemical Name: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione
CAS Number: 108-80-5
Product Number: AG0034N7(AGN-PC-005B6N)
Synonyms:
MDL No:
Molecular Formula: C3H3N3O3
Molecular Weight: 129.0742

Identification/Properties


Properties
MP:
360 °C
BP:
491.093°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4500 (estimate)
Solubility:
Soluble in sulfuric acid, dimethylformamide, sodium hydroxide, potassium hydroxide and diemthyl sulfoxide. Slightly soluble in acetone, benzene, diethyl ether, ethanol and hexane. Insoluble in cold methanol, benzene and chloroform.
Computed Properties
Molecular Weight:
129.075g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
129.017g/mol
Monoisotopic Mass:
129.017g/mol
Topological Polar Surface Area:
87.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
136
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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