ChemicalBook--->CAS DataBase List--->120-89-8

120-89-8

120-89-8 Structure

120-89-8 Structure
IdentificationMore
[Name]

PARABANIC ACID
[CAS]

120-89-8
[Synonyms]

2,4,5-IMIDAZOLINETRIONE
2,4,5-TRIOXOIMIDAZOLIDINE
IMIDAZOLETRIONE
IMIDAZOLIDINETRIONE
N,N'-OXALYLUREA
OXALYLUREA
PARABANIC ACID
2,4,5-Imidazolidinetrione
Trioxoimidazolidine
PARABANIC ACID 98+%
2,4 5-IMIDAZOLINETRIONE 98%
Prabanic acid
[EINECS(EC#)]

204-434-3
[Molecular Formula]

C3H2N2O3
[MDL Number]

MFCD00014493
[Molecular Weight]

114.06
[MOL File]

120-89-8.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

249 °C (dec.) (lit.)
[Boiling point ]

213.51°C (rough estimate)
[density ]

1.7674 (rough estimate)
[refractive index ]

1.4700 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Ethyl Acetate (Slightly, Heated)
[form ]

Solid
[pka]

pK1:6.1 (25°C)
[color ]

White
[Water Solubility ]

almost transparency
[Usage]

A useful synthetic intermediate
[Merck ]

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]

120-89-8(CAS DataBase Reference)
[EPA Substance Registry System]

Imidazolidinetrione (120-89-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

A useful synthetic intermediate
[Uses]

Parabanic 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.
[Uses]

Reactant for:• ;Enantiospecific assembly of homochiral, hexanuclear palladium complexes1• ;Mitsunobu reactions2• ;Quantitative cascade condensation reactions3Reactant for synthesis of:• ;Pyridine derivatives4• ;Nitroesters5• ;Parabanic acid derivatives6
[Definition]

ChEBI: An imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5.
Spectrum DetailBack Directory
[Spectrum Detail]

PARABANIC ACID(120-89-8)MS
PARABANIC ACID(120-89-8)1HNMR
PARABANIC ACID(120-89-8)13CNMR
PARABANIC ACID(120-89-8)IR1
PARABANIC ACID(120-89-8)IR2
PARABANIC ACID(120-89-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

120-89-8(sigmaaldrich)
[TCI AMERICA]

Parabanic Acid,>98.0%(T)(120-89-8)
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