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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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