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
