diphenylcarbazone

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:538-62-5

MDL number:MFCD00003024

EINECS number:208-698-0

RTECS number:LQ9420000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Orange-red needle-like crystals

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

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

4. Melting point (ºC): 157

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): Not determined

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

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

12. Saturated vapor pressure (kPa, 60ºC): 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

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

18. Explosion lower limit (%, V/V): Undetermined

19. Dissolution Properties: Soluble in alcohol, chloroform and benzene, insoluble in water

Toxicological data

1. Acute toxicity: Rat oral LD: >500mg/kg, no details except lethal dose;

2. Mutagenicity data: DNA repairTEST system: Bacteria – Escherichia coli :1200 ng/well.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 70.42

2. Molar volume (cm³/mol): 201.0

3. Isotonic specific volume (90.2K ): 531.3

4. Surface tension (dyne/cm): 48.8

5. Polarizability (10^-24cm³): 27.91

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.6

2. Number of hydrogen bond donors: 2

3. �Number of bonded receptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecules Polar surface area (TPSA): 65.9

7, Number of heavy atoms: 18

8, Surface charge: 0

9, Complexity: 281

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10. The number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

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Properties and stability

1. If stored as required, it will not decompose or react, and keep away from oxides.

2.Form red or purple complex with divalent metal ions.

Storage method

Keep sealed and placed in a ventilated, dry place.

Synthesis method

1. Obtained from the condensation of phenylhydrazine and urea, followed by oxidation with hydrogen peroxide.

2.Mix diphenylcarbohydrazide and an appropriate amount of 95% ethanol, heat to boiling, and completely dissolve it. Slowly add a small amount of potassium hydroxide while stirring, add potassium hydroxide after the reaction, filter while hot, and quickly add 3% hydrogen peroxide to the filtrate for reaction:

After the reaction is completed, Add 1 mol/l sulfuric acid solution under stirring until orange-red crystals precipitate, stop adding acid, and add a large amount of distilled water to dilute, filter after cooling, wash the crystals with distilled water 3 to 4 times and then dry.Diphenylcarbazone is obtained.

Purpose

1. Used as analytical reagents, chromatographic analysis reagents, adsorption indicators and complexing indicators

2.Used for photometric determination of Hg²⁺ , Co²⁺ , Cu²⁺ , Mn2+ and etc. are also used for indirect photometric detection of various anions coordinated with
Hg²⁺, such as Cl ^– , I^–, etc., and used as indicators for precipitation titration determination of halogen, etc., in conjunction with titration determination
Hg²⁺, Pd²⁺ and other indicators. It is also used as a chromogen for the determination of barbiturates by thin layer chromatography.