Para-aminophenylene ether hydrochloride
Structural formula
| Business number | 070U |
|---|---|
| Molecular formula | C8H12ClNO |
| Molecular weight | 173.64 |
| label |
4-Ethoxyaniline hydrochloride, 4-Ethoxybenzenamine Hydrochloride, p-Aminophenylethyl ether Hydrochloride |
Numbering system
CAS number:637-56-9
MDL number:MFCD00035503
EINECS number:211-292-6
RTECS number:SI7051000
BRN number:None
PubChem ID:None
Physical property data
1. Character:.
2. Density (g/mL,25/4℃):
3. Relative vapor density ( g/mL,AIR =1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure):
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index:
8. Flash Point (ºC):
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC):
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
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 partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:.
Toxicological data
1, acute toxicity: Mouse (oral) LD50: 2,080 mg/kg
Rat (oral)LD50： 1,180mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 41.80
2. Molar volume (m3/mol):132.2
3. isotonic specific volume (90.2K):329.5
4. Surface Tension (dyne/cm):38.5
5. Polarizability（10-24cm3):16.57
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
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 35.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 87.3
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: 2
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
