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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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