Quinhydrone Quinhydrone

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:106-34-3

MDL number:MFCD00010310

EINECS number:203-387-6

RTECS number:VA4550000

BRN number:3919222

PubChem ID:None

Physical property data

1. Properties: Green crystal with metallic luster.

2. Density (g/mL, 25℃): 1.32

3. Relative density (20℃, 4℃): 1.401

4. Melting point (ºC): 171

5. Boiling point (ºC, normal pressure): 285

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index (_D²⁰): Not determined

8. Flash point (ºC): Not determined

9. Ratio Optical rotation (ºC): Not determined

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

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

p>

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

19. Solubility: Melting Soluble in alcohol, ether, ammonia and hot water, slightly soluble in cold water, insoluble in petroleum ether.

Toxicological data

Acute toxicity: Rat oral LD50: 225mg/kg; Rat intravenous LD50: 35mg/kg; Mouse intraperitoneal LCLo: 100mg/kg; Mouse subcutaneous LCLo: 100mg/kg;

Ecological data

It is extremely harmful to water and toxic to fish. Do not let the product enter the water body.

Molecular structure data

None yet

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: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 74.6

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 204

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: 2

Properties and stability

1. Avoid light. Avoid contact with strong oxidizing agents.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep away from light.

2. They should be stored separately from oxidants and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment.

3. The storage area should be equipped with leakage emergency treatment equipment and suitable containment materials.

Synthesis method

1. Dissolve 100g iron barium (ferric ammonium sulfate) in 300ml water at 65°C; dissolve 25g hydroquinone in 100ml water. Then the alum solution is added to the stirring hydroquinone solution, and needle-like crystals are precipitated. Cool, filter, wash with cold water and dry to obtain 15g of product.

2. Add the theoretical amount of hydroquinone-ethanol solution to the benzoquinone-ethanol solution while stirring, and place it at 10℃ 4h, after the content is qualified, the crystals are filtered out, washed once with ethanol, and then recrystallized with ethanol to obtain pure quinonehydroquinone.

Purpose

1. Used for the measurement of pH value and also used as electrode manufacturing material.