Phenobarbital Sodium
Structural formula
| Business number | 018J |
|---|---|
| Molecular formula | C12H11N2NaO3 |
| Molecular weight | 254.22 |
| label |
5-Ethyl-5-phenyl-1-methyl-2,4,6-(1H,3H,5H)-pyrimidintrione monosodium salt, 5-Ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine sodium salt, 5-Ethyl-5-phenylbarbituric acid sodium salt |
Numbering system
CAS number:57-30-7
MDL number:MFCD00036211
EINECS number:200-322-3
RTECS number:CQ7000000
BRN number:3802044
PubChem number:24898608
Physical property data
1. Appearance: crystal or white powder. Bitter taste. Slightly hygroscopic.
2. Density (g/mL,25/4℃)： SPAN>Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): 284～286
5. Boiling Point (ºC,Normal pressure): Undetermined
6. Boiling Point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. saturated vapor pressure (kPa,60ºC): Undetermined
13. Burning Heat (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical Pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Explosion lower limit (%,V/V): Undetermined
19. Solubility:1gProduct dissolves in approx.1mlWater, about10mlEthanol, insoluble in ether and chloroform. Aqueous solution is alkaline to litmus and phenolphthalein,pH9.3.
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 2
6. Topological molecule polar surface area 81.6
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 378
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
None
Storage method
This product should be sealed, dry and protected from light.
Synthesis method
None
Purpose
Biochemical research. Forensic Chemistry. Medicines (anticonvulsants, sedatives, hypnotics).
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