p-Ethylaniline
Structural formula
| Business number | 05ZW |
|---|---|
| Molecular formula | C8H11N |
| Molecular weight | 121.18 |
| label |
4-Ethylaniline, 4-Ethylaniline, 1-Amino-4-ethylbenzene |
Numbering system
CAS number:589-16-2
MDL number:MFCD00007921
EINECS number:209-637-0
RTECS number:BX9900000
BRN number:774319
PubChem number:24894393
Physical property data
1. Density (g/mL, 25/4℃): 0.968
2. Refractive index (nD20): 1.5532-1.5552
3. Flash point (℃): 85
4. Melting point (℃): -2.4
5. Boiling point (ºC, 0.67kpa or 5 mmHg): 216
6. Solubility: Slightly soluble in water, easily soluble in ethanol and ether.
Toxicological data
Acute toxicity:
Classification-related LD/LC50 values:
Oral LD50 75mg/kg(bwd)
500mg/kg(mus)
422mg/kg(qal)
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
None yet
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: 9
8. Surface charge: 0
9. Complexity: 72.6
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
1. Materials to avoid: Oxides.
2. Products to be decomposed: carbon monoxide and carbon dioxide, nitrogen oxide.
3. Exist in smoke.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
None yet
