Introduction of N-Methylpyrrolidone

N-Methylpyrrolidone, the chemical formula is C5H9NO, and the molecular weight is 99.13106. It is an organic compound, a colorless and transparent oily liquid with a slight amine odor. Low volatility, good thermal and chemical stability, and can evaporate with water vapor. It is hygroscopic. Sensitive to light. It is easily soluble in water, ethanol, ether, acetone, ethyl acetate, chloroform and benzene. It can dissolve most organic and inorganic compounds, polar gases, natural and synthetic polymer compounds. N-methylpyrrolidone is widely used in industries such as lithium batteries, medicine, pesticides, pigments, cleaning agents, and insulating materials.

Physical data

1. Properties: colorless transparent oily liquid with slight amine odor.

2. Density (g/mL, 25/25℃): 1.0260

3. Relative vapor density (g/mL, air=1): 3.4

4. Melting point (ºC): -24.4

5. Boiling point (ºC, normal pressure): 202

6. Boiling point (ºC, 1.87kPa): 84.5

7. Refractive index (25ºC): 1.468

8. Viscosity (mPa·s): 1.65

9. Flash point (ºC): 86

10. Ignition point (ºC): 346

11. Heat of evaporation (KJ

20. Solubility: Easily soluble in water, ethanol, ether, acetone, ethyl acetate, chloroform and benzene, and can dissolve most organic and inorganic compounds, polar gases, natural and synthetic polymer compounds.

Toxicological data

1. Acute toxicity:

Mouse oral LC50: 5130mg/kg; rat oral LD50: 3914mg/kg

Mouse abdominal cavity LC50: 3050mg/kg; rat abdominal cavity LD50: 2472mg/kg

Mouse intravenous LC50: 54500μg/kg; rat intravenous LD50: 80500μg/kg

Rats inhaled LDL0: 1gm/m3

2. Irritation data: Eye-Rabbit 100 mg Moderate.

Ecological data

It is slightly harmful to water. Do not allow undiluted or large amounts of products to contact groundwater, water courses or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 26.85

2. Molar volume (cm3/mol): 96.2

3. Isotonic specific volume (90.2K): 232.1

4. Surface tension (dyne/cm): 33.7

5. Polarizability (10-24cm3): 10.64

Computational chemistry data

1. Hydrophobic parameter calculation reference value (XlogP): none

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecular polar surface area 20.3

7. Number of heavy atoms: 7

8.Surface charge: 0

9. Complexity: 90.1

10. Number of isotope atoms: 0

11.Determine the number of atomic stereo centers: 0

12. Uncertain the number of atomic stereo centers: 0

13.Determine the number of chemical bond stereo centers: 0

14. Uncertain the number of chemical bond stereo centers: 0

15. Number of covalent bond units: 1 [