2,5-dimethyl-1-phenylpyrrole-3-carboxaldehyde 2,5-dimethyl-1-phenylpyrrole-3-carboxaldehyde

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:83-18-1

mdl number:mfcd00051494

einecs number:201-458-6

rtecs number:none

brn number:144790

pubchem id:none

physical property data

1. physical property data

1. character: uncertain

2. density (g/ml,25/4℃)：not sure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc): 89-90
5. boiling point (ºc,normal pressure):uncertain

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flashpoint (ºc): not sure
9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc): unsure

13. heat of combustion (kj/mol): unsure

14. critical temperature (ºc): unsure

15. critical pressure (kpa): unsure

16. oil and water (octanol/log value of water) partition coefficient: uncertain

17. explosion limit (%,v/v): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility: uncertain.

toxicological data

none

ecological data

none

molecular structure data

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.6

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 22

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 223

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

storage method

none

synthesis method

none

purpose

none

t 27pt; text-indent: -18pt; text-align: left; mso-list: l0 level1 lfo1; tab-stops: list 27.0pt; mso-pagination: wi-orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>18. lower explosion limit (%,v/v): unsure

19. solubility: uncertain.

toxicological data

none

ecological data

none

molecular structure data

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.6

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 22

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 223

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

storage method

none

synthesis method

none

purpose

none