Introduction:Basic information about CAS 77-02-1|aprobarbital, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | aprobarbital |
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| CAS Number | 77-02-1 | Molecular Weight | 210.23000 |
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| Density | 1.086 g/cm3 | Boiling Point | / |
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| Molecular Formula | C10H14N2O3 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | aprobarbital |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.086 g/cm3 |
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| Molecular Formula | C10H14N2O3 |
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| Molecular Weight | 210.23000 |
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| Exact Mass | 210.10000 |
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| PSA | 75.27000 |
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| LogP | 1.22850 |
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| Index of Refraction | 1.476 |
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| InChIKey | UORJNBVJVRLXMQ-UHFFFAOYSA-N |
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| SMILES | C=CCC1(C(C)C)C(=O)NC(=O)NC1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CP8925000
- CHEMICAL NAME :
- Barbituric acid, 5-allyl-5-isopropyl-
- CAS REGISTRY NUMBER :
- 77-02-1
- BEILSTEIN REFERENCE NO. :
- 0180858
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C10-H14-N2-O3
- MOLECULAR WEIGHT :
- 210.26
- WISWESSER LINE NOTATION :
- T6VMVMV FHJ FY1&1 F2U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,389,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 350 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,25,1958
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932 *** REVIEWS *** TOXICOLOGY REVIEW FNSCA6 Forensic Science. (Lausanne, Switzerland) V.1-11, 1972-78. For pub lisher information, see FSINDR. Volume(issue)/page/year: 2,67,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84585 No. of Facilities: 805 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 805 (estimated)
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Synonyms
| Numal |
| Aprozal |
| Aprobarbitone |
| Allonal |
| Aprobarbital |
| Allypropymal |
| Allylpropymal |
| Aprobarbita |
| Alurate |
| 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione |
| Allional |
| 5-allyl-5-isopropylbarbituric acid |