2-Chloronaphthalene

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:91-58-7

MDL number:MFCD00035731

EINECS number:202-079-9

RTECS number:QJ2275000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: flake crystal, can be sublimated.

2. Boiling point (ºC, 101.3kPa): 259

3. Boiling point (ºC, 1.33kPa): 118

4. Boiling point (ºC, 2.67 kPa): 132.6

5. Boiling point (ºC, 8.00kPa): 161.2

6. Melting point (ºC): 59.8

7. Relative density (g /mL, 20/4ºC): 1.178

8. Relative density (g/mL, 16/4ºC): 1.2656

9. Relative density (g/mL, 80/4ºC ): 1.1297

10. Refractive index (70.7ºC): 1.6079

11. Vapor pressure (kPa, 25ºC): 256

12. Solubility: Insoluble in water, soluble in ethanol, ether, benzene, chloroform and carbon disulfide.

13. Refractive index at room temperature (n²⁰): 1.6079¹³

14. Relative density (25℃, 4℃ ): 1.1380⁷¹

15. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): 55.4

16. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): 137.4

Toxicological data

Rat oral LD50: 2078mg/kg. Mouse oral LD50: 886mg/kg.

Ecological data

None

Molecular structure data

1. Molar refractive index: 48.99

2. Molar volume (cm³/mol): 135.5

3. Isotonic specific volume (90.2K ): 346.9

4. Surface tension (dyne/cm): 42.9

5. Polarizability (10^-24cm³): 19.42

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 133

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine ���Number of stereocenters of chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

It has good chemical stability, is not easy to burn, and can undergo halogenation, nitration, sulfonation and chloromethylation reactions. It is hydrolyzed in sodium hydroxide aqueous solution at 260~300℃ to generate β-naphthol.

Storage method

Should be sealed and stored in a cool place

Synthesis method

None

Purpose

High boiling point solvents, grease solvents, gas chromatography stationary solutions. Used in organic synthesis.