Tetraethyl diphosphate Tetraethyl diphosphate

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:107-49-3

MDL number:MFCD00055459

EINECS number:203-495-3

RTECS number:UX6825000

BRN number:1714017

PubChem number:24862556

Physical property data

1. Properties: colorless, odorless, hygroscopic liquid.

2. Density (g/mL, 25℃): 1.185

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure):

6. Boiling point (ºC, 0.133kPa): 124

7. Refractive index (_D²⁰): Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (ºC): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 20ºC): Undetermined

12. Saturated vapor pressure (kPa, 20ºC): 0.206×10-4

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: miscible with water and most organic solvents.

Toxicological data

1. Acute toxicity: Rat oral LD5O: 0.5mg/kg

Rabbit transdermal LD5O: 2.4mg/kg

Mouse oral LD5O: 0.5mg/ kg

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: 61.58

2. Molar volume (cm³/mol): 240.6

3. Isotonic specific volume (90.2K ): 592.9

4. Surface tension (dyne/cm): 36.8

5. Polarizability (10-24cm3): 24.41

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Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 80.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 246

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 alkali, water, and humid air.

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging must be sealed and protected from moisture. They should be stored separately from alkalis, edible chemicals, etc., 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. The “five pairs” management system for extremely toxic substances should be strictly implemented.

Synthesis method

None

Purpose

Used as agricultural aphidicide and acaricide.