Products Categories
| CAS No.: | 109-96-6 |
|---|---|
| Name: | 3-Pyrroline |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7N |
| Molecular Weight: | 69.1063 |
| Synonyms: | 3-Pyrroline(6CI,7CI,8CI);2,5-Dihydro-1H-pyrrole;2,5-Dihydropyrrole;NSC89295;D3-Pyrroline; |
| EINECS: | 203-723-1 |
| Density: | 0.885 g/cm3 |
| Melting Point: | -71oC |
| Boiling Point: | 91 °C at 760 mmHg |
| Flash Point: | 5.8 °C |
| Solubility: | miscible with water |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 F+, C, F, Xi
|
| Risk Codes: | 12-20/22-35-34-11 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2733 3/PG 2 |
| PSA: | 12.03000 |
| LogP: | 0.47460 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
What can I do for you?
Get Best Price
Specification
The IUPAC name of this chemical is 2,5-dihydro-1H-pyrrole. With the CAS registry number 109-96-6, it is also named as 3-Pyrroline. The product's categories are heterocycles; pharmacetical; pyrrolidine series; API intermediates. It is clear colorless to light yellow liquid which is miscible with water and soluble in alcohol and ether. In addition, 1H-Pyrrole,2,5-dihydro- is air sensitive and hygroscopic. It can be obtained by the hydrogenation of pyrrole. Furthermore, this chemical is sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.2; (4)ACD/LogD (pH 7.4): -1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 21.39 cm3; (14)Molar Volume: 78 cm3; (15)Polarizability: 8.48×10-24 cm3; (16)Surface Tension: 31.1 dyne/cm; (17)Enthalpy of Vaporization: 33.09 kJ/mol; (18)Vapour Pressure: 54.9 mmHg at 25°C; (19)Exact Mass: 69.057849; (20)MonoIsotopic Mass: 69.057849; (21)Topological Polar Surface Area: 12; (22)Heavy Atom Count: 5; (23)Complexity: 41.6.
Uses of 1H-Pyrrole,2,5-dihydro-: It is used as pharmaceutical intermediate. And it can react with 1-chloro-2,4-dinitro-benzene to get 1-(2,4-dinitro-phenyl)-2,5-dihydro-pyrrole. This reaction needs solvent dioxane at temperature of 20 °C. The reaction time is 2 hours. The yield is 93%.
.gif)
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. And it is harmful by inhalation and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. Smiles:C1=CCNC1
2. InChI:InChI=1/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2