2-Ethylpyridine 2-Ethylpyridine

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:100-71-0

MDL number:MFCD00006361

EINECS number:202-881-9

RTECS number:None

BRN number:106480

PubChem number:24851726

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 0.937

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

4. Melting point (ºC): -63

5. Boiling point (ºC, normal pressure): 149

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index (nD20): Undetermined

8. Flash point (ºC): 37

9. Specific rotation ( º): Not determined

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 Determined

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: Undetermined

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Toxicological data

1. Acute toxicity: Rat oral LD5O: 1682mg/kg

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 33.89

2. Molar volume (cm³/mol): 115.4

3. Isotonic specific volume (90.2K ): 278.0

4. Surface tension (dyne/cm): 33.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 13.43

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: 2

6. Topological molecule polar surface area 12.9

7 .Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 61.4

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

The vapor and air can form an explosive mixture, which can cause combustion and explosion when exposed to open flames or high heat. It can react with oxidants. It decomposes under high heat and releases toxic gases. If exposed to high heat, the internal pressure of the container will increase and there is a risk of cracking and explosion. Avoid contact with oxidants.

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. Keep sealed. Store in dark place. 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

Can be separated from tar base.

Purpose

Used in the production of medicines, pesticides and other organic synthesis.