Structural formula
| Business number | 06SG |
|---|---|
| Molecular formula | C6H9N |
| Molecular weight | 95.14 |
| label |
2,4-Dimethyl-1H-pyrrole |
Numbering system
CAS number:625-82-1
MDL number:MFCD00192088
EINECS number:210-912-2
RTECS number:None
BRN number:None
PubChem number:24864348
Physical property data
1. Characteristics: light yellow to orange transparent liquid.
2. Density (g/mL,25/4℃): 0.924
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 165-167
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.495-1.497
8. Flash Point (ºC): >109
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: slightly soluble in water.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Moore refraction Rate: 30.33
2. Molar Volume (cm3/mol):100.3
3. isotonic ratio (90.2K）：242.1
4. Surface tension (dyne/cm):33.9
5. Polarization Rate（10-24cm3):12.02
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.5
2. Number of hydrogen bond donors: 1
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 15.8
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 61.2
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
Keep away from oxides.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
