2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)-


Chemical Name: 2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)-
CAS Number: 672-45-7
Product Number: AG003N0F(AGN-PC-0JOB38)
Synonyms:
MDL No:
Molecular Formula: C5H3F3N2O2
Molecular Weight: 180.0847

Identification/Properties


Properties
MP:
230-235 °C
BP:
391.3 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.086g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
180.015g/mol
Monoisotopic Mass:
180.015g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
268
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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