Benzobarbital

Modify Date: 2026-07-14 18:31:07

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

Name	Benzobarbital
Synonym	More Synonyms

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
InChIKey	QMOWPJIFTHVQMB-UHFFFAOYSA-N
SMILES	CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O

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

phenobarbital

CAS#:50-06-6

Benzoyl chloride

CAS#:98-88-4

~60%

Benzobarbital

CAS#:744-80-9

Learn More

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

Precursor 2
CAS#:50-06-6 phenobarbital CAS#:98-88-4 Benzoyl chloride
DownStream 4
CAS#:90-49-3 Pheneturide CAS#:50-06-6 phenobarbital CAS#:65-85-0 benzoic acid CAS#:93596-91-9 Benzeneacetamid...

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%

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) sign...
Source: 824
Target: N/A
External Id: MDAV150

Name: qHTS assay for small molecules that induce genotoxicity in human embryonic kidney cel...
Source: 824
Target: RecName: Full=ATPase family AAA domain-containing protein 5; AltName: Full=Chromosome fragility-associated gene 1 protein
External Id: ELG271

Name: qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signal...
Source: 824
Target: thyroid hormone receptor beta isoform 2 [Rattus norvegicus]
External Id: TRN186

Name: qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signal...
Source: 824
Target: N/A
External Id: TRV455

Name: S16 Schwann cell viability assay (CellTiter-Glo assay)
Source: NCGC
Target: N/A
External Id: cmt-p4-fda-celltiter_regid

Name: Biochemical firefly luciferase enzyme assay for NPC
Source: NCGC
Target: Luciferase [Photinus pyralis]
External Id: adst-fluc-km-fda-o1_regid

Name: Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screeni...
Source: NCGC
Target: N/A
External Id: CPF001

Total 65, Current Page 1 of 7

1-benzoyl-5-phenyl-5-ethylbarbituric acid

1-benzoyl-5-ethyl-5-phenylbarbituric acid

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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

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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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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Benzobarbital
Price: Check
Purity: 99.0%
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: Benzobarbital
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Purity: 99.0%
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Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Benzobarbital
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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Benzobarbital

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

BenzobarbitalBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.