Introduction：Basic information about CAS 76-94-8|2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-5-phenyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-5-phenyl- |
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| CAS Number | 76-94-8 | Molecular Weight | 218.20900 |
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| Density | 1.278g/cm3 | Boiling Point | / |
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| Molecular Formula | C11H10N2O3 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 5-methyl-5-phenyl-1,3-diazinane-2,4,6-trione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.278g/cm3 |
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| Molecular Formula | C11H10N2O3 |
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| Molecular Weight | 218.20900 |
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| Exact Mass | 218.06900 |
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| PSA | 75.27000 |
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| LogP | 0.96790 |
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| Index of Refraction | 1.552 |
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| InChIKey | LSAOZCAKUIANSQ-UHFFFAOYSA-N |
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| SMILES | CC1(c2ccccc2)C(=O)NC(=O)NC1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CQ7245000
- CHEMICAL NAME :
- Barbituric acid, 5-methyl-5-phenyl-
- CAS REGISTRY NUMBER :
- 76-94-8
- BEILSTEIN REFERENCE NO. :
- 0201825
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C11-H10-N2-O3
- MOLECULAR WEIGHT :
- 218.23
- WISWESSER LINE NOTATION :
- T6VMVMV FHJ F1 FR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 34 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - coma Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- AMLSAP Acta Medicinae Legalis et Socialis. (International Academy of Legal Medicine and Social Medicine, Liege, Belgium) V.1- 1948- Volume(issue)/page/year: 10,435,1958
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 350 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPPGAR Journal de Physiologie et de Pathologie Generale. (Paris, France) V.1-38, 1899-1945. For publisher information, see JOPHAN. Volume(issue)/page/year: 30,364,1932
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Safety Information
| RIDADR | UN 3249 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| Methylphenylbarbital |
| Rutonal |
| 5-Methyl-5-phenylbarbityric acid |
| Phenylmethylbarbituric acid |
| Eudan |
| 5-Phenyl-5-methylbarbituric acid |
| 5-methyl-5-phenylbarbituric acid |
| Heptobarbital |
| Mephebarbital |
| 5-methyl-5-phenyl-pyrimidine-2,4,6-trione |
| 5-Methyl-5-phenyl-barbitursaeure |
