Structural formula
| Business number | 028D |
|---|---|
| Molecular formula | C16H16N2O2 |
| Molecular weight | 268.31 |
| label |
N,N’-disalicylicaldehyde ethylenediamine, N,N’-Bis(2-hydroxybenzylidene)ethylenediamine, N,N’-Disalicylalethylenediamine |
Numbering system
CAS number:94-93-9
MDL number:MFCD00002244
EINECS number:202-376-3
RTECS number:SL3780000
BRN number:535296
PubChem number:24854136
Physical property data
1. Appearance: yellow crystal or powder
2. Density (g/mL, 20?): Undetermined
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): 127-128
5. Boiling point (ºC, normal pressure): Undetermined
6 . Boiling point (ºC, mmHg): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): 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. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Soluble in benzene, ethanol and ether, insoluble in water.
Toxicological data
1. Acute toxicity: oral LDLo in rats: 500mg/kg; intraperitoneal LD50 in mice: 100mg/kg;
Ecological data
Slightly harmful to water.
Molecular structure data
1. Molar refractive index: 78.99
2. Molar volume (cm3/mol): 237.1
3. Isotonic specific volume (90.2K ): 613.3
4. Surface tension (dyne/cm): 44.7
5. Polarizability (10-24cm3): 31.31
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 6
6. Topological molecular polar surface area (TPSA): 58.2
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 523
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. The number of determined chemical bond stereocenters: 2
14. The number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.
Synthesis method
None
Purpose
Fluorometric determination of magnesium. Inhibitors of metal ions.
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