4-Isopropylaniline 4-Isopropylaniline
Structural formula
| Business number | 02GN |
|---|---|
| Molecular formula | C9H13N |
| Molecular weight | 135 |
| label |
None |
Numbering system
CAS number:99-88-7
MDL number:MFCD00007900
EINECS number:202-797-2
RTECS number:None
BRN number:1930544
PubChem number:24881463
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25℃): 0.989
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): -63
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 45mmHg): 226-227
p>
7. Refractive index: 1.543
8. Flash point (ºC): 92
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturated vapor pressure (kPa , 25ºC): 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) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V ): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in organic solvents such as alcohol and benzene, insoluble in water.
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 44.67
2. Molar volume (cm3/mol): 141.7
3. Isotonic specific volume (90.2K ): 348.1
4. Surface tension (dyne/cm): 36.3
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 17.71
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 90.9
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 strong oxygenAgent exposure.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. 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 use 4-nitrocumene for reduction, which can be reduced with iron powder. It is best to use catalytic hydrogenation to reduce pollution.
Purpose
Used as an intermediate for the synthesis of herbicide isoproturon.