Structural formula
| Business number | 0308 |
|---|---|
| Molecular formula | C4H7N |
| Molecular weight | 69.11 |
| label |
3-pyrroline, 2,5-dihydropyrrole, 3-Dihydropyrrole, 2,5-Dihydro-1h-pyrrol, 2,5-Dihydropyrrol, Heterocyclic compounds |
Numbering system
CAS number:109-96-6
MDL number:MFCD00005213
EINECS number:203-723-1
RTECS number:None
BRN number:103173
PubChem number:24863493
Physical property data
1. Characteristics: Colorless with ammonia flavored liquid.
2. Density（g/mL,15.5℃）：0.910
3. relative Vapor Density (g/mL,Air =1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC,99.73kPa): 90-91
7. Refractive index:1.4664 ; mso-bidi-font-family: Arial; mso-font-kerning: 0pt”>
8. Flashpoint (ºC): -18
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa,ºC): 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 the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:miscible with water , soluble in ethanol and ether
Toxicological data
None yet
Ecological data
This substance may be harmful to the environment, and special precautions should be taken for water bodies Notice.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:21.39
2. Molar volume (m3/mol):78.0
3. Isotonic specific volume (90.2K): 184.3
4. Surface tension (dyne/cm): 31.1
5. Polarizability（10-24 cm3):8.48
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 12
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 41.6
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
at It is easy to volatilize in the air, absorb moisture, and absorb carbon dioxide, showing a strong alkaline reaction . Avoid contact with air, moisture, oxides, and acids.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep away from light. The storage temperature should not exceed 30℃. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
By Pyrrole is produced by hydrogenation reduction of zinc powder.
Purpose
Use As an intermediate in the pharmaceutical industry.
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4. Surface tension (dyne/cm): 31.1
5. Polarizability（10-24 cm3):8.48
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 12
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 41.6
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
at It is easy to volatilize in the air, absorb moisture, and absorb carbon dioxide, showing a strong alkaline reaction . Avoid contact with air, moisture, oxides, and acids.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep away from light. The storage temperature should not exceed 30℃. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
By Pyrrole is produced by hydrogenation reduction of zinc powder.
Purpose
Use As an intermediate in the pharmaceutical industry.
mily: ‘Times New Roman’; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>Used Intermediates for the pharmaceutical industry.
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