2-Naphthalenecarboxaldehyde 2-Naphthalenecarboxaldehyde

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:66-99-9

MDL number:MFCD00004094

EINECS number:200-640-2

RTECS number:QJ0190010

BRN number:507750

PubChem number:24897548

Physical property data

1. Character: flake crystal

2. Density (g/mL, 25/4℃): 1.0775

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

4. Melting point (ºC): 58-61

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

6 .       Boiling point (ºC, 19mmHg): 160 (2533pa)

7.       Refractive index _(n⁹⁹_D): 1.6211

8. Flash point (ºC):＞110

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition Temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

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

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

19. Solubility: soluble in ethanol, ether, acetone, and can evaporate with water vapor

Toxicological data

Acute toxicity: Mouse route unknown LD50: 1500 mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 51.84

2. Molar volume (cm³/mol): 135.2

3. Isotonic specific volume (90.2K ): 356.1

4. Surface tension (dyne/cm): 48.1

5. Polarizability (10^-24cm³)：20.15

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

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 17.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 164

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. Exist in mainstream smoke.

Storage method

This product should be stored sealed with argon gas.

Synthesis method

Pour dry hydrogen chloride into the mixture of anhydrous tin dichloride and anhydrous ether until saturated, then add2- The ether solution of naphthalenenitrile is then added with hydrogen chloride until it is saturated to form a yellow complex of aldimine and tin tetrachloride. Distill the complex with water vapor, and filter out the white solid product from the distillate, which is the crude product 2-naphthaldehyde. Distill under reduced pressure to obtain the pure product, which is collected The rate is about 70%.

Purpose

Biochemical research. Organic Synthesis.