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Basic information
- CAS
120-89-8- Standard SMILES
O=C1NC(=O)C(=O)N1- InChIKey
ZFLIKDUSUDBGCD-UHFFFAOYSA-N- Molecular formula
- C3H2N2O3
- Average molar mass
- 114.06 g/mol
- Monoisotopic mass
- 114.00654192
Names & identifiers
- Preferred name
- Imidazolidinetrione
- IUPAC
- Imidazolidine-2,4,5-trione
- English name
- PARABANIC ACID
- Molecular formula
- C3H2N2O3
- Molecular weight
- 114.06
Names & synonyms
2,4,5-TRIOXOIMIDAZOLIDINEimidazolidine-2,4,5-trioneOxalyureaOXALYLUREAPrabanic acidZhongban acidPARABANIC ACIDIMIDAZOLETRIONEN,N'-OXALYLUREAParabanicAcid>
Database identifiers
- CAS
120-89-8- PubChem CID
- 67126
- DTXSID
DTXSID2059516- ChEMBL
CHEMBL1534940- ChEBI
CHEBI:74661- UNII
- 3XGR439T9P
- EC Number
- 204-434-3
- Nikkaji
- J9.351C
Properties
Physicochemical properties
- Melting point
- 249 °C · 249 °C (dec.) (lit.)
- Boiling point
- 213.51 °C · 213.51°C (rough estimate)
- Density
- 1.7674 · 1.7674 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly, Heated)
- form
- Solid
- pka
- 1 · pK1:6.1 (25°C)
- color
- White
- Water Solubility
- almost transparency
- Merck
- 14 · 14,7022
- InChI
- InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
- InChIKey
- ZFLIKDUSUDBGCD-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(=O)C(=O)N1
- CAS DataBase Reference
- 120 · 120-89-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 XGR439T9P · 3XGR439T9P
- EPA Substance Registry System
- Imidazolidinetrione (120-89-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933599590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for:• ;Enantiospecific assembly of homochiral, hexanuclear palladium complexes1• ;Mitsunobu reactions2• ;Quantitative cascade condensation reactions3Reactant for synthesis of:• ;Pyridine derivatives4• ;Nitroesters5• ;Parabanic acid derivatives6
UsesA useful synthetic intermediate
UsesParabanic acid appears to be an important marker of free radical reactions in vivo and may be used to monitor free radical activity and to evaluate pharmacological therapy with radical scavengers.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers76 total
Related reactions
1 records
Compound notes
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