Henan Tianfu Chemical Co., Ltd.
China
Product Name: Benzobarbital
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Stocking Period: Inquiry
Contact: Anson

744-80-9

744-80-9 structure

744-80-9 structure

Name: Benzobarbital
Chemical Name: Benzobarbital
CAS Number: 744-80-9
Molecular Formula: C₁₉H₁₆N₂O₄
Molecular Weight: 336.341
Catalog: Chemical reagent Organic reagent Aromatic hydrocarbon
Create Date: 2018-02-23 08:00:00
Modify Date: 2024-01-03 11:51:24

Name	Benzobarbital
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

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

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

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

50-06-6 structure

50-06-6

98-88-4 structure

98-88-4

~60%

744-80-9 structure

744-80-9

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

Precursor 2
50-06-6 98-88-4
DownStream 4
90-49-3 50-06-6 65-85-0 93596-91-9

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%