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511-67-1

511-67-1 Structure

511-67-1 Structure
IdentificationBack Directory
[Name]

5,5-DIBROMOBARBITURIC ACID
[CAS]

511-67-1
[Synonyms]

Dibromin
5,5-DIBROMOBARBITURIC ACID
5,5-Di BroMo Barbutyric Acid
Barbituric acid, 5,5-dibromo-
5,5-Dibromobarbituric acid 97%
5,5-DibroMo-pyriMidine-2,4,6-trione
5,5-dibromo-1,3-diazinane-2,4,6-trione
5,5-Dibromohexahydropyrimidine-2,4,6-trione
5,5-Dibromopyrimidine-2,4,6(1H,3H,5H)-trione
5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dibromo-
[EINECS(EC#)]

208-131-7
[Molecular Formula]

C4H2Br2N2O3
[MDL Number]

MFCD00010595
[MOL File]

511-67-1.mol
[Molecular Weight]

285.88
Chemical PropertiesBack Directory
[Melting point ]

240-242 °C(lit.)
[density ]

2.5685 (rough estimate)
[refractive index ]

1.6220 (estimate)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

DMSO (Sparingly)
[form ]

Solid
[pka]

pKa 5.68±0.02(H2O t=25.0±0.02 I=0.00)(Approximate)
[color ]

Pale Beige to Light Orange
[Stability:]

Moisture Sensitive
[InChI]

InChI=1S/C4H2Br2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11)
[InChIKey]

AMATXUCYHHHHHB-UHFFFAOYSA-N
[SMILES]

C1(=O)NC(=O)C(Br)(Br)C(=O)N1
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2933599590
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Uses]

5,5-Dibromobarbituric acid was used in the synthesis of condensed pteridine system by undergoing condensation with 4,5-diamino-pyrimidines in the presence of pyridine.
Spectrum DetailBack Directory
[Spectrum Detail]

5,5-DIBROMOBARBITURIC ACID(511-67-1)1HNMR
5,5-DIBROMOBARBITURIC ACID(511-67-1)IR1
5,5-DIBROMOBARBITURIC ACID(511-67-1)IR2
5,5-DIBROMOBARBITURIC ACID(511-67-1)Raman
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