2-Hydroxyethylpyridine 2-(2-Hydroxyethyl)pyridine

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:103-74-2

MDL number:MFCD00006364

EINECS number:203-140-2

RTECS number:UT2970450

BRN number:111205

PubChem number:24847871

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 0.966

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

4. Melting point (ºC): -8–7

5. Boiling point (ºC, normal pressure): 169-170

6. Boiling point (ºC, 9mmHg): 114 -116

7. Refractive index: 1.537

8. Flash point (ºC): 57

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg,ºC): Not determined

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: Undetermined

Toxicological data

Acute toxicity: Rat oral LD50: 9500mg/kg; Mouse oral LD50: 7750mg/kg;

Ecological data

Generally speaking, it is not harmful to water.

Molecular structure data

1. Molar refractive index: 35.42

2.Molar volume (cm³/mol): 112.9

3. Isotonic specific volume (90.2K): 294.7

4. Surface tension (dyne/cm) : 46.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 14.04

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 33.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 75.3

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

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Obtained from the addition reaction of 2-methylpyridine and formaldehyde. Add formaldehyde and 2-methylpyridine into the reaction pot, add nitrogen, stir and heat to 125°C, the pressure is about 0.4MPa, after 20 hours of reaction, carry out vacuum distillation, collect the 130-145°C (2.13kPa) fraction, and get 2-(2-Hydroxyethyl)pyridine.

Purpose

Used in organic synthesis.