ChemicalBook--->CAS DataBase List--->744-80-9

744-80-9

744-80-9 Structure

744-80-9 Structure
IdentificationBack Directory
[Name]

Benzobarbital
[CAS]

744-80-9
[Synonyms]

benzonal
744-80-9
Benzobarbita
benzoyluminal
BENZOBARBITAL
BENZOBARBITONE
benzoylluminal
benzoylphenobarbital
Benzoyl phenobarbitone
1-benzoyl-5-ethyl-5-phenyl-barbituricaci
1-benzoyl-5-ethyl-5-phenylbarbituricacid
5-Phenyl-5-ethyl-1-benzoylbarbituric acid
1-benzoyl-5-phenyl-5-ethylbarbituric acid
1-BENZOYL-5-ETHYL-5-PHENYL BARBITORIC ACID
1-(benzoyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
BENZOBARBITAL:1-BENZOYL-5-ETHYL-5-PHENYL BARBITORIC ACID
6(1h,3h,5h)-pyrimidinetrione,1-benzoyl-5-ethyl-5-phenyl-4
1-benzoyl-5-ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine
5-ethyl-5-phenyl-1-phenylcarbonyl-1,3-diazinane-2,4,6-trione
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C19H16N2O4
[MDL Number]

MFCD00806921
[MOL File]

744-80-9.mol
[Molecular Weight]

336.34
Chemical PropertiesBack Directory
[Melting point ]

134.5°C
[Boiling point ]

472.83°C (rough estimate)
[density ]

1.3097 (rough estimate)
[refractive index ]

1.5700 (estimate)
[form ]

Solid
[pka]

6.41±0.10(Predicted)
Safety DataBack Directory
[RIDADR ]

3249
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Toxicity]

dlt-mus-orl 20 mg/kg CYGEDX 10(2),1,76
Hazard InformationBack Directory
[Chemical Properties]

[Appearance] White crystalline powder with bitter taste [Solubility] Almost insoluble in water, slightly soluble in 95% ethanol, soluble in ether, easily soluble in chloroform [Melting point] 134-137℃ [Clarity and color of solution] 5ml1% 1N NaOH solution should be clear and colorless [Acidity] 6.0-6.8 [Related impurities] Phenobarbital ≤0.8% [Diphenyl derivatives] ≤0.4% (TLC method) [Chloride] ≤0.005% [Sulfate] ≤0.025% [Sulfated ash] ≤0.1% [Heavy metals] ≤0.001% [Content] ≥99.0%
[Uses]

is used in preparation method and composition for treating epilepsy including administering a Cholecystokinin-2 receptor antagonist and combination with antiepileptic agents.
[Safety Profile]

Moderately toxic by ingestion.Experimental reproductive effects. Mutation datareported. When heated to decomposition it emits toxicfumes of NOx.
[Synthesis]

Phenobarbital was synthesized using silver salt of phenobarbital and benzoyl chloride in catalyst-free reaction with about 20% yield. Benzoylphenobarbital was synthesized from phenobarbital and benzoyl chloride using 4 dimethylaminopyridine (abbreviated a
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