2,4-dimethylpyrrole

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: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

resource:allhdi.com