dibenzoylmethane

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:120-46-7

MDL number:MFCD00003085

EINECS number:204-398-9

RTECS number:TZ1930000

BRN number:514910

PubChem number:24893746

Physical property data

1. Properties: Colorless rhombic flake crystals

2. Standard heat of combustion (enthalpy) of the crystal phase (kJ·mol^-1): -7393.4

3. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -224.2

4. Melting point (ºC): 80

5. Boiling point (ºC, normal pressure): 220¹⁸

6. Boiling point (ºC, 18mmHg): 219-221

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 25ºC): Not determined

12. Saturated vapor pressure (kPa, ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure ( KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in chlorohydrin and chloroform, soluble in sodium hydroxide solution, insoluble In sodium carbonate solution, very slightly soluble in water.

Toxicological data

1. Acute toxicity: rat oral LD50: >500mg/kg

Ecological data

Slightly harmful to water.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 65.87

2. Molar volume (cm³/mol): 196.8

3. Isotonic specific volume (90.2K): 512.9

4. Surface tension (dyne/cm): 46.0

5. Polarizability (10^-24cm³): 26.11

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 2

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 243

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

Avoid contact with oxides.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

It is obtained from benzylidene acetylbenzene through bromination and hydrolysis.

Purpose

Analytical reagents, determination of carbon disulfide and thallium, gravimetric determination of uranium, photometric determination of U+4, extraction of silver, aluminum, barium, beryllium, calcium, cadmium, cobalt, copper, iron, gallium, mercury, indium, lanthanum, magnesium, manganese, nickel , lead, palladium, scandium, thorium, titanium, zinc, zirconium, etc.