CAS Registry Number®
67-52-7
CAS Name
Barbituric acid
Molecular Formula
C4H4N2O3
Molecular Mass
128.09
Compound Properties
-
Melting Point (1)
248 °C
-
Density (2)
1.17 g/cm³ @ Temp: 236 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Toebbens, Daniel M.; CrystEngComm, (2012), 14(9), 3046-3055, CAplus
Other Names and Identifiers
InChI
InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey
InChIKey=HNYOPLTXPVRDBG-UHFFFAOYSA-N
SMILES
O=C1CC(=O)NC(=O)N1
Canonical SMILES
O=C1NC(=O)CC(=O)N1
Other Names for this Substance
- 2,4,6(1H,3H,5H)-Pyrimidinetrione
- Barbituric acid
- 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
Deleted or Replaced CAS Registry Numbers
16564-27-5, 20964-57-2, 32267-40-6, 42910-84-9, 51159-18-3, 53853-41-1, 63896-95-7, 117491-80-2, 118738-52-6, 154254-45-2, 158217-19-7, 160336-60-7, 223674-02-0, 253678-06-7, 253678-07-8, 253678-08-9, 408335-37-5, 465532-08-5, 477705-05-8, 678184-94-6, 774592-06-2, 860760-03-8, 888733-51-5, 914348-20-2, 944357-77-1, 1030660-92-4, 1175001-15-6, 1227251-16-2, 1333204-15-1, 1351684-07-5, 1392108-86-9, 1696408-95-3, 1802859-89-7, 1811546-22-1, 1825368-05-5, 1888309-80-5, 1906914-02-0, 2171459-71-3, 2258646-20-5
