Dizophosphonate

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:141-66-2

MDL number:MFCD00072499

EINECS number:205-494-3

RTECS number:TC3850000

BRN number:1880084

PubChem number:24868752

Physical property data

1. Physical property data:

1.Characteristics: amber liquid with a slight ester smell

2.Density (g/mL ,25/4℃): 1.216

3.Boiling point (ºC): 400℃

4.Flash point (ºC): 100 ºC

5.Vapor pressure (kpa,20ºC): 0.013Pa

6.Solubility: compatible with water and many organic solvents(such as acetone, diacetone alcohol, 2-Acetone, ethanol) are miscible, but their solubility in diesel and kerosene is lower than 10g/kg

Toxicological data

None yet

Ecological data

3. Ecology Data:

1. Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:54.87

2. Molar volume (cm³/mol): 201.6

3. Isotonic specific volume (90.2K ):495.6

4. Surface tension (dyne/ cm):36.5

5. Polarizability（10^-24cm³):21.75

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 65.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 291

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: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Incompatible materials:Strong oxidizing agent

Storage method

0Save at -6°C.

Synthesis method

Trimethylphosphite can be used with2-Produced by the reaction of acetyl chloride and acetyl dimethylamine.

Purpose

Used as agricultural pesticide.

ottom-alt: auto; tab-stops: list 36.0pt 72.75pt” align=”left”>4. Surface tension (dyne/cm) ：36.5

5. Polarizability（10^-24cm³):21.75

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 65.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 291

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: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Incompatible materials:Strong oxidizing agent

Storage method

0Save at -6°C.

Synthesis method

Trimethylphosphite can be used with2-Produced by the reaction of acetyl chloride and acetyl dimethylamine.

Purpose

Used as agricultural pesticide.