Salicylaldoxime Salicylaldoxime

Structural formula

• 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:94-67-7

MDL number:MFCD00002120

EINECS number:202-353-8

RTECS number:VN5775000

BRN number:1859881

PubChem number:24888183

Physical property data

1. Properties: White prismatic crystals.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 57

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 10mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 85ºC): 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) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V ): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in alcohol, ether, benzene and dilute hydrochloric acid, soluble in In hot water, slightly soluble in cold water, insoluble in petroleum ether.

Toxicological data

1. Acute toxicity: Rat oral LDLo: 400mg/kg;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 37.01

2. Molar volume (cm³/mol): 115.8

3. Isotonic specific volume (90.2K ): 300.9

4. Surface tension (dyne/cm): 45.5

5. Polarizability (10-24cm3): 14.67

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5.   Number of tautomers: 5

6. Topological molecular polar surface area (TPSA): 49.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 226

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: 1

14. Uncertain chemical bond stereocenters Quantity: 0

15. Quantity of covalent bond units: 1

Properties and stability

Avoid contact with oxides and acidic substances.

Storage method

Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from fire sources and store away from oxidants and acidic substances.

Synthesis method

1. Dissolve salicylaldehyde in sodium hydroxide solution and add hydroxylamine hydrochloride. The mixture was heated on a water bath for half an hour and made neutral with glacial acetic acid. Cool in an ice bath and precipitate salicylaldehyde oxime. After recrystallization from benzene, and then recrystallization from petroleum ether containing a small amount of benzene, the finished product is obtained.

Purpose

1. Organic sensitive reagent for photometric determination of copper (II), iron (III), molybdenum (VI), and nickel (II). Precipitating agent or extraction separation agent for copper, nickel, lead, palladium, cadmium, mercury, bismuth, vanadium, osmium/gold/uranium/iron/cobalt, manganese, zinc, etc. ​