2,4(1H,3H)-Quinazolinedione


Chemical Name: 2,4(1H,3H)-Quinazolinedione
CAS Number: 86-96-4
Product Number: AG0034I6(AGN-PC-07ZJHA)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454

Identification/Properties


Properties
MP:
300 °C
BP:
288.82°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5770 (estimate)
Solubility:
ammonium hydroxide: soluble10mg/mL
Computed Properties
Molecular Weight:
162.148g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
162.043g/mol
Monoisotopic Mass:
162.043g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
227
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:
H302-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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