Barbiturates

Structural formula

• 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:57-44-3

MDL number:MFCD00036212

EINECS number:200-331-2

RTECS number:CQ3500000

BRN number:163999

PubChem number:24891513

Physical property data

1. Characteristics: White Needle crystalline or crystalline powder. Odorless. Slightly bitter. Sublime in a vacuum.

2. Density ( g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,air=1): Undetermined

4. Melting point ( ºC): 188～192

5. Boiling point ( ºC,Normal pressure): Undetermined

6. Boiling point ( ºC,5.2kPa): Undetermined

7. fold�Rate: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not OK

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

13. heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

19. Solubility:1gProduct dissolves in approx.130mlCold water,13mlBoiling water,14mlEthanol,75mlChloroform and25mlEther, soluble in acetone, ethyl acetate, petroleum Ether, acetic acid, amyl alcohol, pyridine, aniline, nitrobenzene and alkaline solutions.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 44.09

2. Molar volume (m³/mol):161.5

3. isotonic specific volume (90.2K):389.1

4. Surface Tension (dyne/cm):33.6

5. Polarizability（10^-24cm³):17.47

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 5

6. Topological molecule polar surface area 75.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 247

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

Diethyl malonate is obtained by ethylation, cyclization and acidification.

Purpose

Prepare buffer solution. Protein electrophoresis. Liver function tests. Hydrogen peroxide stabilizer.

This product can be used as a hypnotic drug. Due to reasons such as safety, effectiveness and drug resistance caused by repeated use, the use of barbiturates as hypnotic drugs has tended to decrease. Barbiturate tablets were released by the Department of Health1982year9One ​​of the eliminated drugs announced in March. Barbiturates can be used as hydrogen peroxide stabilizers; used in the preparation of buffer solutions, protein electrophoresis, liver function testing, etc.

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