N,N-diethylcarbamoyl chloride
Structural formula
| Business number | 01YZ |
|---|---|
| Molecular formula | C5H10ClNO |
| Molecular weight | 135.59 |
| label |
Diethylcarbamyl chloride, N,N-diethyl chloroformamide, Chloroformic acid diethylamide, (C2H5)2NCOCl |
Numbering system
CAS number:88-10-8
MDL number:MFCD00000636
EINECS number:201-798-5
RTECS number:FD4025000
BRN number:506687
PubChem number:24859266
Physical property data
1. Properties: Light yellow irritating oily liquid.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Not determined
5. Boiling point (ºC, normal pressure): Not determined
6. Boiling point (ºC, 5.2kPa): Not determined Determined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (% ,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 33.81
2. Molar volume (cm3/mol): 126.8
3. Isotonic specific volume (90.2K ): 300.2
4. Surface tension (dyne/cm): 31.4
5. Polarizability (10-24cm3): 13.40
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 20.3
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 80.5
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain atoms Number of stereocenters: 0
13. Number of determined stereocenters of chemical bonds: 0
14. Number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored in a cool place.
Synthesis method
Using ethylenediamine as raw material, perform formyl chlorination reaction with phosgene to obtain crude diethylaminoformyl chloride, which is deacidified And get the finished product.
Purpose
This product is a pharmaceutical and pesticide intermediate and is used in the production of the anti-bloodworm drug Haiqunsheng, the herbicide Herbicide, etc.
