CAS No.123-75-1,Tetrahydro pyrrole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	123-75-1
Name:	Tetrahydro pyrrole
Article Data:	313
Cas Database

Formula:	C₄H₉N
Molecular Weight:	71.1222
Synonyms:	Pyrrolidin;Tetramethylenimine;Pyrrolidine ring;Perhydropyrrole;Pyrrole, tetrahydro-;2,3,4,5-Tetrahydropyrrole;Azacyclopentane;Butylenimine;Pyrrolidine (Tetrahydropyrrole);Pyrrolidine 99%;Pyrrolidine;Prolamine;
EINECS:	204-648-7
Density:	0.866 g/cm³
Melting Point:	-63 °C, 210 K, -81 °F
Boiling Point:	89.451 °C at 760 mmHg
Flash Point:	2.778 °C
Solubility:	Miscible with water
Appearance:	Colourless to pale yellow liquid
Hazard Symbols:	F,T,C
Risk Codes:	11-22-23-34-35-20/21/22-20/22
Safety:	16-26-36/37/39-45-33
Transport Information:	UN 1922 3/PG 2
PSA:	12.03000
LogP:	0.69860

Synthetic route

: 109-97-7
pyrrole

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With 5% Ru/MgO; hydrogen In tetrahydrofuran at 150℃; under 38002.6 Torr; for 0.7h;	100%
With dichloro(μ-chloro)(μ-hydrido)bis(η-p-cymene)diruthenium(II); hydrogen In neat (no solvent) at 90℃; under 60006 Torr; for 40h;	89%
With Cp*Rh(2-(2-pyridyl)phenyl)H; hydrogen In neat (no solvent) at 100℃; under 27361.8 Torr; for 48h; Catalytic behavior; Glovebox;	74%

: 56475-80-0
N-(methoxycarbonyl)pyrrolidine

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With tert-butylamine In methanol for 3h; Heating;	100%
With methyllithium; lithium bromide In tetrahydrofuran at 0℃; for 1h;	95%

: 78521-30-9
1-(pyrrolidinyl)-2,4-dinitronaphthalene

: 74-89-5
methylamine

A: 123-75-1
pyrrolidine

B: 39139-78-1
1-(Methylamino)-2,4-dinitronaphthalene

Conditions

Conditions	Yield
In water at 30℃; for 1h;	A n/a B 98%

...Expand

: 616-45-5
2-pyrrolidinon

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With methanesulfonic acid; ruthenium(1,1,1-tris(di(3,5-dimethylphenyl)phosphinomethyl)ethane)(η4-trimethylenemethane); hydrogen In tetrahydrofuran at 160℃; under 75007.5 Torr; for 16h; Autoclave; Schlenk technique;	98%
With tris(pentafluorophenyl)borate; C21H35BrMnNO2P2; potassium tert-butylate; hydrogen In m-xylene at 150℃; under 37503.8 Torr; for 72h;	81%
With borane-ammonia complex; boron trifluoride diethyl etherate; tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 16h;	77%

: 110-60-1
1,4-diaminobutane

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
HZSM-5(280) zeolite In water at 300℃; Cyclization;	97%
tris(triphenylphosphine)ruthenium(II) chloride In diphenylether at 180℃; for 5h; Product distribution; other α,ω-aliphatic diamines;	90%
With carbonylchloro[4,5-bis(diisopropylphosphinomethyl)acridine]hydridoruthenium(II) In 1,4-dioxane; water at 100℃; for 22h; Schlenk technique; Inert atmosphere;	88%

: 123477-57-6
pyrrolidine-1-carboxylic acid prop-2-ynyl ester

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With benzyltriethylammonium tetrathiomolybdate In acetonitrile at 20℃; for 2.5h;	97%

: 110-63-4
Butane-1,4-diol

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With ammonia; hydrogen; CuO/ZnO/Al2O3 at 220℃; under 26252.1 Torr;	94%
With aluminum oxide; ammonia at 400℃;
With aluminum oxide; ammonia at 325℃;

: 5470-26-8
ethyl pyrrolidine-1-carboxylate

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With methyllithium; lithium bromide In tetrahydrofuran at 0℃; for 1h;	94%

: 142653-70-1
1-(9-fluorenylmethoxycarbonyl)pyrrolidine

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With triethylamine; 1-butyl-3-methylimidazolium Tetrafluoroborate In neat (no solvent) at 25℃; for 0.0666667h; Green chemistry;	93%

: 29897-82-3
N-benzylpyrrolidine

: 123-75-1
pyrrolidine

Conditions

Conditions	Yield
With 9,10-Dicyanoanthracene In water; acetonitrile Irradiation;	90%

Raw Materials

7664-93-9

98-95-3

123-56-8

110-52-1

Downstream Products

90-52-8

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 3;
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.

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.