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| CAS No.: | 3486-86-0 |
|---|---|
| Name: | Butallylonal |
| Molecular Structure: | |
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| Formula: | C11H15 Br N2 O3 . Na |
| Molecular Weight: | 325.17 |
| Synonyms: | 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-, monosodium salt (9CI); Barbituricacid, 5-(2-bromoallyl)-5-sec-butyl-, sodium deriv. (7CI); Barbituric acid,5-(2-bromoallyl)-5-sec-butyl-, sodium salt (8CI); Butallylonal, sodium deriv.(6CI); 5-(2-Bromoallyl)-5-sec-butylbarbiturate sodium; Butallylonal sodium;Pernoston Sodium; Sodium 5-(2-bromoallyl)-5-sec.-butylbarbiturate |
| Density: | 1.395g/cm3 |
| Melting Point: | 130-132 °C |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Br− and NOx. See also BARBITURATES. |
| PSA: | 82.25000 |
| LogP: | 2.23540 |
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Chemistry
IUPAC Name: sodium 5-(2-bromoprop-2-enyl)-5-butan-2-yl-4,6-dioxo-1H-pyrimidin-2-olate
Synonyms of Butallylonal sodium (CAS NO.3486-86-0): Butallylonal sodium salt ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-, monosodium ; 2-Butyl bromallyl malonylurea sodium ; Butallylonal sodium ; Pernocton sodium ; Pernoston sodium ; Sodium 5-(2-bromoallyl)-5-sec-butylbarbiturate ; sec-Butyl-brom-allyl barbituric acid sodium salt ; Barbituric acid, 5-(2-bromoallyl)-5-sec-butyl-, sodium salt ;
CAS NO: 3486-86-0
Molecular Formula of Butallylonal sodium (CAS NO.3486-86-0): C11H15BrN2O3
Molecular Weight: 303.1524
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 57.69 Å2
Index of Refraction: 1.512
Molar Refractivity: 65.19 cm3
Molar Volume: 217.2 cm3
Surface Tension: 39.7 dyne/cm
Density of Butallylonal sodium (CAS NO.3486-86-0): 1.395 g/cm3
Molecular Structure:
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Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | oral | 135mg/kg (135mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 260, 1946. |
| mouse | LDLo | subcutaneous | 100mg/kg (100mg/kg) | BEHAVIORAL: SLEEP | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 323, 1937. |
| rabbit | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931. | |
| rabbit | LD50 | oral | 375mg/kg (375mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931. | |
| rat | LDLo | subcutaneous | 70mg/kg (70mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 57, Pg. 289, 1936. |
Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Br− and NOx. See also BARBITURATES.