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Cas Database |
| Name |
1,3-Dimethyl-5-phenylbarbituric acid |
EINECS | 230-981-2 |
| CAS No. | 7391-66-4 | Density | 1.274g/cm3 |
| PSA | 57.69000 | LogP | 0.69640 |
| Solubility | N/A | Melting Point |
140.0-140.5 °C |
| Formula | C12H12 N2 O3 | Boiling Point | 352.7°Cat760mmHg |
| Molecular Weight | 232.239 | Flash Point | 155.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Barbituric acid,1,3-dimethyl-5-phenyl- (7CI,8CI); 1,3-Dimethyl-5-phenylbarbituric acid; NSC125776; NSC 128098 |
Article Data | 9 |
1,3-Dimethyl-5-phenylbarbituric acid Chemical Properties
Molecular Structure of 1,3-Dimethyl-5-phenylbarbituric acid (CAS No.7391-66-4):
Molecular Formula: C12H12N2O3
Molecular Weight: 232.2353
CAS No: 7391-66-4
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 57.69 Å2
Index of Refraction: 1.57
Molar Refractivity: 59.83 cm3
Molar Volume: 182.2 cm3
Surface Tension: 48.3 dyne/cm
Density: 1.274 g/cm3
Flash Point: 155.2 °C
Enthalpy of Vaporization: 59.75 kJ/mol
Boiling Point: 352.7 °C at 760 mmHg
Vapour Pressure: 3.78E-05 mmHg at 25°C
IUPAC Name: 1,3-Dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
InChI: InChI=1/C12H12N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h3-7,9H,1-2H3
InChIKey: UGFMJBRXTRUGJC-UHFFFAOYAH
Std. InChI: InChI=1S/C12H12N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h3-7,9H,1-2H3
Std. InChIKey: UGFMJBRXTRUGJC-UHFFFAOYSA-N
Product Categories: Organic acids
Classification Code: Drug / Therapeutic Agent
1,3-Dimethyl-5-phenylbarbituric acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | unreported | 3gm/kg (3000mg/kg) | Journal of the American Chemical Society. Vol. 63, Pg. 356, 1941. |
1,3-Dimethyl-5-phenylbarbituric acid Specification
1,3-Dimethyl-5-phenylbarbituric acid (CAS No.7391-66-4), its synonyms are 1,3-Dimethyl-5-phenyl-pyrimidine-2,4,6-trione ; 1,3-Dimethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-phenyl- .
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