Barbituric acid
Properties
- Molecular formula
- C4H4N2O3
- Molar mass
- 128.09 g/mol
- Exact mass
- 128.0222 Da
- Density
- 1.17 g/mL (at 236 °C)
- Melting point
- 248 °C
- logP
- 0.42Crippen estimate
- Polar surface area
- 82.3 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation63.1% of notifiers
- H319 Causes serious eye irritation63.7% of notifiers
- H335 May cause respiratory irritation61.9% of notifiers
Aggregated from 168 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
67-52-7SMILES
O=C1N=C(O)CC(O)=N1InChIKey
HNYOPLTXPVRDBG-UHFFFAOYSA-NInChI
InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- 2,4,6(1H,3H,5H)-Pyrimidinetrione
- 2,4,6-Trioxohexahydropyrimidine
- Malonylurea
- 2,4,6-Pyrimidinetriol
- Urea, N,N′-(1,3-dioxo-1,3-propanediyl)-
- 2,4,6-Trihydroxypyrimidine
- Pyrimidinetrione
- 6-Hydroxyuracil
- 2,4,6-Pyrimidinetrione
- Hexahydropyrimidine-2,4,6-trione
- 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione
- NSC 7889
- 1,3-Diazinane-2,4,6-trione
- 2-Hydroxypyrimidine-4,6(1H,5H)-dione
Reactions
Work with Barbituric acid
Similar compounds
Thiobarbituric acid504-17-648 % similar
1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2565-47-143 % similar
2-Methyl-4,6-pyrimidinedione40497-30-143 % similar
Violuric acid87-39-842 % similar
N-(1,4,5,6-Tetrahydro-4,6-dioxo-2-pyrimidinyl)cyanamide55067-10-239 % similar
Malonic dihydrazide3815-86-939 % similar
Alloxantin76-24-438 % similar
1-Methylhydantoin616-04-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds