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2,5-Dimethyl-1-phenylpyrrole-3-carbonylaldehyde

2,5-Dimethyl-1-phenylpyrrole-3-carbonaldehyde structural formula

Structural formula

Business number 01TF
Molecular formula C13H13NO
Molecular weight 199.25
label

2,5-Dimethyl-1-phenyl-1h-pyrrole-3-carbaldehyde,

2,5-Dimethyl-1-phenyl-1h-pyrrole-3-carboxaldehyde

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 the partition coefficient (water): Uncertain


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

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

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