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744-80-9

Benzobarbital, also known as barbital, is a barbiturate medication that belongs to the class of sedative-hypnotic drugs. It is a white crystalline powder with a bitter taste and is soluble in water. Benzobarbital is used as a sedative, hypnotic, and anticonvulsant agent, and it works by depressing the central nervous system to induce sleep, reduce anxiety, and prevent seizures.

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  • 744-80-9 Structure

  • Basic information

    1. Product Name: Benzobarbital
    2. 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
    3. CAS NO:744-80-9
    4. Molecular Formula: C19H16N2O4
    5. Molecular Weight: 336.34
    6. EINECS: 1592732-453-0
    7. Product Categories: Pharmaceutical Intermediates;API intermediates
    8. Mol File: 744-80-9.mol

  • Chemical Properties

    1. Melting Point: 134.5°C
    2. Boiling Point: 472.83°C (rough estimate)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.3097 (rough estimate)
    6. Refractive Index: 1.5700 (estimate)
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 6.41±0.10(Predicted)
    10. CAS DataBase Reference: Benzobarbital(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzobarbital(744-80-9)
    12. EPA Substance Registry System: Benzobarbital(744-80-9)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: 3249
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 6.1(b)
    8. PackingGroup: III
    9. Hazardous Substances Data: 744-80-9(Hazardous Substances Data)

744-80-9 Usage

Uses

Used in Pharmaceutical Industry:
Benzobarbital is used as an anticonvulsant for the treatment of epilepsy, particularly in the management of acute seizures and status epilepticus. It is also used in combination with other antiepileptic agents to enhance their effectiveness and provide better seizure control.
Benzobarbital is used as a sedative and hypnotic agent for the short-term treatment of insomnia and anxiety disorders. It helps to induce sleep, reduce anxiety, and promote relaxation.
Additionally, Benzobarbital is used as a component in various pharmaceutical formulations, such as combination products with Cholecystokinin-2 receptor antagonists, to treat specific medical conditions. These formulations aim to provide targeted therapy and improve patient outcomes.

Safety Profile

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

Check Digit Verification of cas no

The CAS Registry Mumber 744-80-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,4 and 4 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 744-80:
(5*7)+(4*4)+(3*4)+(2*8)+(1*0)=79
79 % 10 = 9
So 744-80-9 is a valid CAS Registry Number.
InChI:InChI=1/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)

744-80-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzobarbital

1.2 Other means of identification

Product number -
Other names 1-benzoyl-5-phenyl-5-ethylbarbituric acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:744-80-9 SDS

744-80-9Synthetic 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

A

pheneturide
90-49-3, 6192-36-5, 6509-32-6

pheneturide

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

744-80-9Relevant articles and documents

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