Introduction：Basic information about CAS 744-80-9|Benzobarbital, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzobarbital |
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| CAS Number | 744-80-9 | Molecular Weight | 336.341 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 472.83°C (rough estimate) |
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| Molecular Formula | C19H16N2O4 | Melting Point | 134-137ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | Benzobarbital |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 472.83°C (rough estimate) |
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| Melting Point | 134-137ºC |
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| Molecular Formula | C19H16N2O4 |
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| Molecular Weight | 336.341 |
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| Exact Mass | 336.110992 |
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| PSA | 83.55000 |
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| LogP | 2.25 |
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| Index of Refraction | 1.600 |
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| InChIKey | QMOWPJIFTHVQMB-UHFFFAOYSA-N |
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| SMILES | CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O |
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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 DATAACUTE 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
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Safety Information
| Hazard Codes | Xi |
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| RIDADR | UN 3249 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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| HS Code | 2933540000 |
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Customs
| HS Code | 2933540000 |
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| 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% |
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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 |
