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Tetrahydro pyrrole

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Name

Tetrahydro pyrrole

EINECS 204-648-7
CAS No. 123-75-1 Density 0.866 g/cm3
Solubility Miscible with water Melting Point -63 °C, 210 K, -81 °F
Formula C4H9N Boiling Point 89.451 °C at 760 mmHg
Molecular Weight 71.12 Flash Point 2.778 °C
Transport Information UN 1922 3/PG 2 Appearance Colourless to pale yellow liquid
Safety 16-26-36/37/39-45-33 Risk Codes 11-22-23-34-35-20/21/22-20/22
Molecular Structure Molecular Structure of 123-75-1 (Tetrahydro pyrrole) Hazard Symbols FlammableF,ToxicT,CorrosiveC
Synonyms

Pyrrolidin;Tetramethylenimine;Pyrrolidine ring;Perhydropyrrole;Pyrrole, tetrahydro-;2,3,4,5-Tetrahydropyrrole;Azacyclopentane;Butylenimine;Pyrrolidine (Tetrahydropyrrole);Pyrrolidine 99%;Pyrrolidine;Prolamine;

 

Tetrahydro pyrrole Consensus Reports

Reported in EPA TSCA Inventory.

Tetrahydro pyrrole Standards and Recommendations

DOT Classification:  3;
Label: Flammable Liquid

Tetrahydro pyrrole 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.

Pyrrolidine is prepared by reaction of maleic anhydride.

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.

Pyrrolidine is used to produce 1-prop-2-ynyl-pyrrolidine by reaction with 3-bromo-propyne.

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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