9,10-Phenanthrenequione 9,10-Phenanthrenequione

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:84-11-7

MDL number:MFCD00001163

EINECS number:201-515-5

RTECS number:SF7875000

BRN number:608838

PubChem ID:None

Physical property data

1. Properties: Orange-yellow needle-like crystals.

2. Density (g/mL, 25/4℃): 1.405

3. Relative density (20℃, 4℃): 1.405²²

4. Melting point (ºC): 209℃

5. Boiling point (ºC, normal pressure): above 360℃

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

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. 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: Insoluble in water, slightly Soluble in ethanol, benzene, ethyl acetate, soluble in ether and hot acetic acid

Toxicological data

Acute toxicity:

Mouse abdominal cavity LD50: 165mg/kg;

2. Chronic toxicity/carcinogenicity: Mouse skin TDL0: 800 mg/kg/29W-C

3. Teratogenicity

Salmonella: 30 umol/L;

Bacillus subtilis: 400ug/plate

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 58.66

2. Molar volume (cm³/mol): 159.0

3. Isotonic specific volume (90.2K ): 434.8

4. Surface tension (dyne/cm): 55.8

5. Polarizability (10^-24cm³): 23.25

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Topological molecular polar surface area (TPSA): 34.1

6. Number of heavy atoms: 16

7. Surface charge: 0

8. Complexity: 289

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 0

11. No Determine the number of atomic stereocenters: 0

12, Determine the number of chemical bond stereocenters: 0

13, Uncertain number of chemical bond stereocenters: 0

14. Number of covalent bond units: 1

Properties and stability

This product can be absorbed through the skin and cause poisoning. Animal test results show that the lowest oral poisoning dose for mice is 20 mg/kg (for one consecutive day). Operators should wear protective equipment.
　

Storage method

This product should be sealed and stored in a cool, dry place.

Packed in plastic bags lined with woven bags, stored in a cool, dry and ventilated place, protected from sun and moisture, and away from fire and heat sources. Store and transport according to general chemical regulations.

Synthesis method

Made from phenanthrene oxidation, there are chemical methods and electrolysis methods. 1. Chemical method uses sodium (or potassium) dichromate and phenanthrene in sulfuric acid aqueous solution for oxidation. 2. The electrolyte of the electrolytic oxidation method contains 120g/L of chromium trioxide, 450g/L of sulfuric acid, and 35g/L of phenanthrene. The cathode current density is 3.75A/cm2, the electrolyte temperature is 60-65°C, and after 8 hours of electrolysis, the product is filtered.

Purpose

Phenanthrenequinone itself is a pesticide and can be used as a fungicide, seed dressing agent, electrophotography, photoconductive material, photosensitive solder resist and paper preservative.