N-ethyl-1-naphthylamine

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:118-44-5

MDL number:MFCD00003880

EINECS number:204-250-3

RTECS number:None

BRN number:2207404

PubChem number:24845752

Physical property data

1. Properties: red to brown oil

2. Density (g/mL, 25℃): 1.060

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

4. Melting point (ºC): 305

5. Boiling point (ºC, 2.0kpa): 187~189

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: 1.644

8. Flash point (ºC): >110

9. Specific rotation Degree (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: Insoluble in Water, soluble in ethanol and ether.

Toxicological data

None yet

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 58.33

2. Molar volume (cm³/mol): 159.5

3. Isotonic specific volume (90.2K ): 409.7

4. Surface tension (dyne/cm): 43.5

5. Polarizability (10^-24cm³): 23.12

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 155

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. Covalent bond unit�Quantity:1

Properties and stability

Stable at room temperature and pressure, avoid contact with strong oxidants and light.

Toxic. Oral ingestion, respiratory inhalation, and skin contact can cause poisoning.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

It is obtained by alkylation of menaphthylamine, followed by salt formation and neutralization.

Purpose

Dye intermediates. Used to synthesize basic brilliant blue R and basic brilliant blue BO and other dyes.