Structural formula
| Business number | 0323 |
|---|---|
| Molecular formula | C4H7NO |
| Molecular weight | 85.1 |
| label |
propyl isocyanate, isocyanate, n-propyl isocyanate, 1-Isocyanatopropane, 1-Propyl isocyanate, Fungicide |
Numbering system
CAS number:110-78-1
MDL number:MFCD00002045
EINECS number:203-803-6
RTECS number:NR0190000
BRN number:1098489
PubChem number:24898623
Physical property data
1. Characteristics: colorless liquid, It smells like onions.
2. Density (g/mL,20℃): 0.908
3. Relative vapor density (g/mL,Air=1 ): 2.93
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):83-84
6. Boiling point (ºC,5.2kPa): Not determined
7. Refractive index: 1.3970
8. Flashpoint (ºC): 26
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, 19ºC): 6.65
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 the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
90.2K):226.6
4. Surface Tension (dyne/cm):29.3
5. Polarizability（10-24cm3):9.79
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 29.4
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 63.9
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 oxygen in humid air, and do not store it together with water, alcohols, strong alkalis, acids, and strong oxidants.
Storage method
Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30 ℃. Keep container tightly sealed. They should be stored separately from oxidants, acids, alkalis, alcohols, and food chemicals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
The preparation method is to put xylene and isopropylamine into the reaction kettle, when the temperature drops to 15Add hydrochloric acid dropwise below ℃, the temperature should not be Over25℃, heat azeotropic dehydration until dehydration is complete, cool to normal temperature, and The material is transferred into the isopropyl isocyanate reactor and heated to 80℃, into phosgene , the end point is when the material is transparent and clear. Use nitrogen to drive away phosgene and hydrogen chloride until the tail gas becomes neutral. After cooling to room temperature, transfer the material to the distillation kettle and distill it to collect 74～ 78℃Fraction i.e. for products.
Purpose
As a raw material for organic synthesis.
/SPAN>, heat azeotropic dehydration until dehydration is complete, cool to normal temperature, transfer the material into the isopropyl isocyanate reactor, and heat to 80℃, when phosgene is introduced, the end point is when the material is transparent and clear. Use nitrogen to drive away phosgene and hydrogen chloride until the tail gas becomes neutral. After cooling to room temperature, transfer the material to the distillation kettle and distill it to collect 74～ 78℃Fraction i.e. for products.
Purpose
As a raw material for organic synthesis.
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