Benzobarbital
Names
[ CAS No. ]:
744-80-9
[ Name ]:
Benzobarbital
[Synonym ]:
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
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
Precursor & DownStream
Precursor
DownStream
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%