Product Name

  • Name

    Benzobarbital

  • EINECS 1592732-453-0
  • CAS No. 744-80-9
  • Article Data4
  • CAS DataBase
  • Density 1.292g/cm3
  • Solubility
  • Melting Point 134-137
  • Formula C19H16 N2 O4
  • Boiling Point 472.83°C (rough estimate)
  • Molecular Weight 336.347
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 744-80-9 (Benzobarbital)
  • Hazard Symbols
  • Synonyms Barbituricacid, 1-benzoyl-5-ethyl-5-phenyl- (6CI,7CI,8CI);1-Benzoyl-5-ethyl-5-phenylbarbituric acid; 1-Benzoyl-5-phenyl-5-ethylbarbituricacid; Benzobarbital; Benzonal; Benzoylluminal
  • PSA 83.55000
  • LogP 2.51990

Synthetic route

phenobarbital
50-06-6

phenobarbital

benzoyl chloride
98-88-4

benzoyl chloride

Benzoylphenobarbital
744-80-9

Benzoylphenobarbital

Conditions
ConditionsYield
at 155 - 170℃; for 9h;60%
Benzoylphenobarbital
744-80-9

Benzoylphenobarbital

A

1-benzoyl-3-(2-phenylbutyryl)urea
93596-91-9, 143148-00-9, 143190-25-4

1-benzoyl-3-(2-phenylbutyryl)urea

B

phenobarbital
50-06-6

phenobarbital

C

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
In ethanol at 70℃; Kinetics; Rate constant; Product distribution; various pH, temp., Ea;A 85%
B 5%
C 4%
In sodium hydroxide at 70℃; for 8h;A 85%
B 5%
C 4%
Benzoylphenobarbital
744-80-9

Benzoylphenobarbital

B

phenobarbital
50-06-6

phenobarbital

C

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
at 70℃; for 8h; buffer pH 13;A 30%
B 40%
C n/a

Benzobarbital Chemical Properties

IUPAC Name: 1-Benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Synonyms: 1-Benzoyl-5-ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine ; 1-Benzoyl-5-ethyl-5-phenyl-barbituricaci ; 1-Benzoyl-5-ethyl-5-phenylbarbituricacid ; 6(1H,3H,5H)-Pyrimidinetrione,1-benzoyl-5-ethyl-5-phenyl-4 ; Benzonal ; Benzoylluminal ; Benzoylphenobarbital ; Benzoyluminal
Product Categories: Pharmaceutical Intermediates;API intermediates
Molecular Structure of Benzoylphenobarbital (CAS NO.744-80-9) :
Molecular Formula of Benzoylphenobarbital (CAS NO.744-80-9) : C19H16N2O4
Molecular Weight of Benzoylphenobarbital (CAS NO.744-80-9) : 336.35
CAS NO: 744-80-9
Mol File: 744-80-9.mol
Melting point :134-137 °C
Index of Refraction: 1.6
Surface Tension: 52.3 dyne/cm
Density: 1.292 g/cm3
Appearance: Benzoylphenobarbital (CAS NO.744-80-9) is white crystalline powder.
Solubility: Almost insoluble in water, slightly soluble in 95% ethanol, dissolved in ether and chloroform soluble

Benzobarbital Uses

 Benzoylphenobarbital (CAS NO.744-80-9) is used as antiepileptic drug.

Benzobarbital Toxicity Data With Reference

1.    

dlt-mus-orl 20 mg/kg

    CYGEDX    Cytology and Genetics. English Translation of Tsitologiya i Genetika. 10 (2)(1976),1.
2.    

orl-mus LD50:982 mg/kg

    APSXAS    Acta Pharmaceutica Suecdca. 6 (1969),177.

Benzobarbital Safety Profile

Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
RIDADR 3249
HazardClass 6.1(b)
PackingGroup III

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