2,5-Dimethyl-1-phenylpyrrole 2,5-Dimethyl-1-phenylpyrrole
Structural formula
| Business number | 01TG |
|---|---|
| Molecular formula | C12H13N |
| Molecular weight | 171.24 |
| label |
1-phenyl-2,5-dimethylpyrrole, 2,5-Dimethyl-1-phenyl-1H-pyrrole, 1-Phenyl-2,5-dimethylpyrrole |
Numbering system
CAS number:83-24-9
MDL number:MFCD00022464
EINECS number:201-461-2
RTECS number:None
BRN number:124370
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/ mL,air=1 ): Unsure
4. Melting point (ºC):50-51
5. Boiling point (ºC,Normal pressure):155-160
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. 17. Explosion limit ( %,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 56.33
2. Molar volume (m3/mol）：177.7
3. isotonic specific volume (90.2K):427.1
4. Surface Tension (dyne/cm):33.3
5. Polarizability（10-24cm3):22.33
Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 4.9
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 151
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
T-ALIGN: left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3. Isotonic specific volume (90.2K ): 427.1
4. Surface Tension (dyne/cm):33.3
5. Polarizability（10-24cm3):22.33
Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 4.9
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 151
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
