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