Isobarbituric acid Structure

Isobarbituric acid

Chemical Properties

Melting point >300 °C (dec.)(lit.)
Density  1.455±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in DMSO (Sparingly), Methanol (Sparingly).
pka 8.25±0.20(Predicted)
form  crystalline
color  light yellow
BRN  127205
Major Application forensics and toxicology
pharmaceutical (small molecule)
veterinary
InChI 1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9)
InChIKey FQXOOGHQVPKHPG-UHFFFAOYSA-N
SMILES O=C1CNC(=O)NC1=O
FDA UNII 438WJI1S49
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
HS Code  2933599550
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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