N-Methylpyrrole N-Methylpyrrole
Structural formula
| Business number | 02BB |
|---|---|
| Molecular formula | C5H7N |
| Molecular weight | 81.12 |
| label |
1-methylpyrrole, 1-Methylpyrrol |
Numbering system
CAS number:96-54-8
MDL number:MFCD00005345
EINECS number:202-513-7
RTECS number:UX9640000
BRN number:104181
PubChem number:24902047
Physical property data
1. Properties: liquid.
2. Density (g/mL, 20℃): 0.914
3. Relative vapor density (g/mL, air=1): 2.8
4. Melting point (ºC): −57
5. Boiling point (ºC, normal pressure): 112-113
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index: 1.489
8. Flash point (ºC): 15
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20.2ºC): 15
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
Mutagenicity: DNA repair test: Bacillus subtilis, 40600μg/disk;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 26.80
2. Molar volume (cm3/mol): 93.7
3. Isotonic specific volume (90.2K ): 219.1
4. Surface tension (dyne/cm): 29.8
5. Polarizability (10-24cm3): 10.62
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: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 4.9
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 37.2
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 oxides.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. Keep container tightly 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
None
Purpose
It can be used as raw material for organic synthesis and widely used as pharmaceutical intermediates and organic solvents. The intermediate of Tonidine can also be used as dye stabilizer and preservative.