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:56-72-4

MDL number:MFCD00041820

EINECS number:200-285-3

RTECS number:GN6300000

BRN number:327083

PubChem number:24868876

Physical property data

1. Characteristics: Colorless crystal. The industry is brown crystal

2. Density (g/mL,25 /4℃): 1.474

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

4. Melting point ( ºC): 95℃

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

6.p; Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Not OK

18. Lower explosion limit (%,V/V): Not OK

19. Solubility:Slightly soluble in water

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 86.84

2. Molar volume (m³/mol）：261.8

3. isotonic specific volume (90.2K):709.5

4. Surface Tension (dyne/cm):53.9

5. Polarizability（10^-24cm³): 34.42

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 86.1

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 500

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

None

Storage method

This product should be kept sealed.

Synthesis method

(1)200gethyl acetoacetate and270g SO2CI2, respectively dissolved in100mlbenzene, then in10℃, SO2CI2It is obtained by dropping a benzene solution into a benzene solution of ethyl acetoacetate. (2) resorcin88gandα-Ethyl acetoacetate chloride132gDrip640mlIn concentrated sulfuric acid, the temperature is 5Obtained by reaction below ℃3-chlorine-4-Methyl-7-Hydroxycoumarin. 44g 3-Chlorine-4- Methyl-7-Hydroxycoumarin,29gAnhydrous potassium carbonate is placed together500mlIn methyl ethyl ketone, add dropwise under reflux and stirring40g O,O-Diethylphosphorothioate chloride, reflux2h And get fly poison phosphorus.

Purpose

fly poison Phosphorus-based non-systemic insecticides are particularly effective against dipteran pests. They are also used to control external parasites and are effective in controlling skin flies.

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