Dichlofenthion Dichlofenthion

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:97-17-6

MDL number:MFCD00045182

EINECS number:202-564-5

RTECS number:TF0350000

BRN number:1993440

PubChem number:24868568

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 1.320

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

4. Melting point (ºC): Undetermined

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

6. Boiling point (ºC, 0.133kPa): 166

7. Refractive index: Undetermined

8. Flash point (ºC): 100

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20.2ºC): 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) distribution coefficient: Undetermined

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

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

19. Solubility: Insoluble in water, soluble in most organic solvents.

Toxicological data

1. Acute toxicity: Rat oral LD50: 172mg/kg; Rat skin contact LD50: 355mg/kg; Rabbit skin contact LD50: 6mg/kg; Pigeon oral LD50: 75mg/kg; Chicken oral LD50: 148mg/kg. kg; Quail oral LD50: 316mg/kg; Wild bird experience��LD50: 14mg/kg; 2. Mutagenicity: sister chromatid exchange experiment: human lymphocytes, 2mg/L;

Ecological data

This substance may be harmful to the environment and it is recommended not to let it enter the environment.

Molecular structure data

1. Molar refractive index: 74.24

2. Molar volume (cm³/mol): 231.5

3. Isotonic specific volume (90.2K ): 607.9

4. Surface tension (dyne/cm): 47.4

5. Polarizability (10-24cm3): 29.43

Calculate chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 59.8

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 270

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 strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Obtained from the reaction of 2,4-dichlorophenol and O,O-diethylphosphorothioate chloride. Put 840 parts of 2,4-dichlorophenol and 923 parts of O,O-diethylthiophosphoryl chloride into the reaction pot, stir and heat to dissolve. Add 412 parts of 50% sodium hydroxide aqueous solution at 50°C, raise the temperature to 110°C and react for 2 hours. Then add the reaction material dropwise to a mixture of 124 parts of 25% sodium hydroxide, 1098 parts of water and 2410 parts of hexane, let it stand for layering, separate the hexane layer, evaporate the hexane, and collect 93- The 100℃ (6.7kPa) fraction is obtained.

Purpose

Used as agricultural nematicide.