ChemicalBook--->CAS DataBase List--->496-76-4

496-76-4

496-76-4 Structure

496-76-4 Structure
IdentificationBack Directory
[Name]

ISOBARBITURIC ACID
[CAS]

496-76-4
[Synonyms]

NSC 95958
5-hydroxyisouracil
2,4,6-ThihydroxypyriMidine
Dihydropyrimidine-2,4,5(3H)
2,4,5-Trihydroxypyrimidine,98%
2,4,5-Trihydroxypyrimidine,97%
Fluorouracil Related CoMpound B
Pyrimidine-2,4,5(1H,3H,6H)-trione
dihydropyrimidine-2,4,5(3H)-trione
Dihydro-2,4,5(3H)-pyriMidinetrione
2-Hydroxypyrimidine-4,5(3H,6H)-dione
1,6-Dihydro-2,4,5(3H)-pyrimidinetrione
TRIFLUOROACETIC ACID REAGENTPLUS 99%
2-Hydroxy-1,6-dihydropyrimidine-4,5-dione
2,4,5(3H)-Pyrimidinetrione, dihydro- (9CI)
2,4,5-Trihydroxypyrimidine, 5-Hydroxyuracil
[EINECS(EC#)]

207-829-9
[Molecular Formula]

C4H4N2O3
[MDL Number]

MFCD00082987
[MOL File]

496-76-4.mol
[Molecular Weight]

128.086
Chemical PropertiesBack Directory
[Appearance]

light yellow to beige granular powder
[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).
[form ]

crystalline
[pka]

8.25±0.20(Predicted)
[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
Hazard InformationBack Directory
[Chemical Properties]

light yellow to beige granular powder
[Uses]

A 5-hydroxy derivative of the nucleobase Uracil (U801000) and an isomer of Barbituric Acid (B118650). Studies show that it can form stable base pairs with all four bases in a DNA duplex. It has been u sed as oxidative DNA damage biomarker in tissue engineered skin
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933599550
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

ISOBARBITURIC ACID(496-76-4)MS
ISOBARBITURIC ACID(496-76-4)1HNMR
ISOBARBITURIC ACID(496-76-4)IR1
ISOBARBITURIC ACID(496-76-4)IR2
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