Tri-n-hexylamine Tri-n-hexylamine

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:102-86-3

MDL number:MFCD00009523

EINECS number:203-062-9

RTECS number:None

BRN number:1755828

PubChem number:24889582

Physical property data

1. Properties: colorless liquid with an amine-like odor.

2. Density (g/mL, 20/4℃): 0.798

3. Relative vapor density (g/mL, air=1): 9.3

4. Melting point (ºC): <-75

5. Boiling point (ºC, normal pressure): 163~265

6. Boiling point (ºC, 1.6KPa): 150 ~159

7. Refractive index (20ºC): 1.442

8. Flash point (ºC): 144

9. Autoignition point or ignition temperature ( ºC): 230

10. Vapor pressure (mmHg, 20ºC): <1

11. Explosion upper limit (%, V/V): 2.4

12. Lower explosion limit (%, V/V): 0.2

13. Solubility: Easily soluble in ethanol and ether, soluble in acid, slightly soluble in water.

Toxicological data

1. Acute toxicity: Oral LD50 in rats: 1150mg/kg

2. Toxic when taken orally. Irritating to eyes, respiratory system and skin.

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies. Toxic to aquatic life. Can cause adverse consequences to the water environment.

Molecular structure data

1. Molar refractive index: 89.16

2. Molar volume (cm³/mol): 332.9

3. Isotonic specific volume (90.2K ): 733.9

4. Surface tension (dyne/cm): 29.2

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 35.34

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 7.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 15

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 127

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. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidants and acids. Protective clothing should be worn when using.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acidic substances, etc., and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

Used as solvent and organic synthesis intermediate.