Benzobarbital

Modify Date: 2024-01-03 11:51:24

Benzobarbital Structure
Benzobarbital structure
 Common Name Benzobarbital
CAS Number 744-80-9 Molecular Weight 336.341
Density 1.3±0.1 g/cm3 Boiling Point 472.83°C (rough estimate)
Molecular Formula C19H16N2O4 Melting Point 134-137ºC
MSDS N/A Flash Point N/A

 Names

Name Benzobarbital
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 472.83°C (rough estimate)
Melting Point 134-137ºC
Molecular Formula C19H16N2O4
Molecular Weight 336.341
Exact Mass 336.110992
PSA 83.55000
LogP 2.25
Index of Refraction 1.600

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ0477600
CHEMICAL NAME :
Barbituric acid, 1-benzoyl-5-ethyl-5-phenyl-
CAS REGISTRY NUMBER :
744-80-9
BEILSTEIN REFERENCE NO. :
0627140
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C19-H16-N2-O4
MOLECULAR WEIGHT :
336.37
WISWESSER LINE NOTATION :
T6VMVNV FHJ DVR& F2 FR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
982 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
REFERENCE :
CYGEDX Cytology and Genetics (English Translation). Translation of TGANAK. (Allerton Press Inc., 150 Fifth Ave., New York, NY 10011) V.8- 1974- Volume(issue)/page/year: 10(2),1,1976

 Safety Information

Hazard Codes Xi
RIDADR UN 3249
Packaging Group III
Hazard Class 6.1(b)
HS Code 2933540000

 Synthetic Route

phenobarbital structure

phenobarbital

CAS#:50-06-6

Benzoyl chloride structure

Benzoyl chloride

CAS#:98-88-4

~60%

Benzobarbital Structure

Benzobarbital

CAS#:744-80-9

Literature: Pharmaceutical Chemistry Journal, , vol. 14, # 3 p. 203 - 204 Khimiko-Farmatsevticheskii Zhurnal, , vol. 14, # 3 p. 102 - 103

 Customs

HS Code 2933540000
Summary 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

 Synonyms

1-benzoyl-5-phenyl-5-ethylbarbituric acid
1-benzoyl-5-ethyl-5-phenylbarbituric acid
Benzoyl phenobarbitone
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-
BENZOBARBITONE
benzoyluminal
1-benzoyl-5-ethyl-5-phenyl-barbituricaci
benzonal
benzoylluminal
1-benzoyl-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione
5-Ethyl-1-benzoyl-5-phenylbarbituric AAnti-arrhythmiacid
Benzobarbita
1-Benzoyl-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
1-Benzoyl-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
benzoylphenobarbital
Benzobarbital
1-Benzoyl-5-ethyl-5-phenyl barbitoric acid
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