Basic information
- Name:
Tetrahydro pyrrole
- CAS No.:
123-75-1
- Molecular Structure:

- Formula:
- C4H9N
- Synonyms:
- Pyrrolidin;Tetramethylenimine;Pyrrolidine ring;Perhydropyrrole;Pyrrole, tetrahydro-;2,3,4,5-Tetrahydropyrrole;Azacyclopentane;Butylenimine;Pyrrolidine (Tetrahydropyrrole);Pyrrolidine 99%;Pyrrolidine;Prolamine;
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Label: Flammable Liquid
Specification
The Pyrrolidine with CAS registry number of 123-75-1 is also known as Tetrahydropyrrole. The IUPAC name and product name are the same. It belongs to product categories of Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Flavor. Its EINECS registry number is 204-648-7. In addition, the formula is C4H9N and the molecular weight is 71.12. This chemical is a colourless to pale yellow liquid and should be sealed in dark place.
Physical properties about Pyrrolidine are: (1)ACD/LogP: 0.09; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)Index of Refraction: 1.428; (9)Molar Refractivity: 21.795 cm3; (10)Molar Volume: 84.749 cm3; (11)Surface Tension: 26.891 dyne/cm; (12)Density: 0.839 g/cm3; (13)Flash Point: 2.778 °C; (14)Enthalpy of Vaporization: 33.01 kJ/mol; (15)Boiling Point: 89.451 °C at 760 mmHg; (16)Vapour Pressure: 58.582 mmHg at 25 °C.
Preparation of Pyrrolidine: it is prepared by reaction of maleic anhydride. Product is obtained by hydrogenation and amination.
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Uses of Pyrrolidine: it is used to produce 1-prop-2-ynyl-pyrrolidine by reaction with 3-bromo-propyne. The reaction occurs with reagents KOH, alumina and solvent aliquat 336 at 20 °C. The yield is about 55%. Besides, it is also used as pharmaceutical raw materials, organic synthesis and special organic solvent.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. It is highly flammable and may cause severe burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Take precautionary measures against static discharges and keep away from sources of ignition. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCNC1
2. InChI: InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
3. InChIKey: RWRDLPDLKQPQOW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | oral | 250mg/kg (250mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 104, 1982. | |
| mammal (species unspecified) | LD50 | oral | 250mg/kg (250mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. | |
| mouse | LC50 | inhalation | 1300mg/m3/2H (1300mg/m3) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT VASCULAR: OTHER CHANGES | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 29, 1974. |
| mouse | LD50 | intraperitoneal | 420mg/kg (420mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946. | |
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06769, | |
| mouse | LD50 | oral | 450mg/kg (450mg/kg) | Bollettino Chimico Farmaceutico. Vol. 103, Pg. 414, 1964. | |
| rabbit | LDLo | oral | 250mg/kg (250mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 104, 1982. | |
| rat | LD50 | oral | 300mg/kg (300mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT VASCULAR: OTHER CHANGES | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 29, 1974. |
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