Dizophosphonate
Structural formula
| Business number | 03U5 |
|---|---|
| Molecular formula | C8H16NO5P |
| Molecular weight | 237.19 |
| label |
(E)-3-(dimethylamino)-1-methyl-3-oxo-1-propenyldimethylphosphate, Bittrin, double pine, (E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethylphosphate, Bidrin, Carbicron, Carbomicron, Ektafos, Karbicron, Oleobidrin, Bidirl, Organophosphorus pesticides |
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.
