123-75-1 pyrrolidine
1. Names and Identifiers
1.1 Name
Pyrrolidine
1.2 Synonyms
1-AZACYCLOPENTANEAKOS BBS-00003603AzolanEINECS 204-648-7MFCD00005249Pyrrole, tetrahydro-Pyrrolidine [UN1922] [Flammable liquid]PYRROLIDINE,REAGENTpyrrolidine,tetrahydropyrrolePyrrolidinepyrrolidineT5MTJTetrahydro pyrroleTetrahydropyrroleTETRAHYDROPYRROLE(PYRROLIDINE)Tetrahydropyrrole,TetramethyleneimineTETRAMETHYLENEIMINE
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1.3 CAS No.
123-75-1
1.4 CID
31268
1.5 EINECS(EC#)
204-648-7
1.6 Molecular Formula
C4H9N (isomer)
1.7 Inchi
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
1.8 InChkey
RWRDLPDLKQPQOW-UHFFFAOYSA-N
1.9 Canonical Smiles
C1CCNC1
1.10 Isomers Smiles
C1CCNC1
2. Properties
2.1 Density
0.866
2.1 Melting point
-63℃
2.1 Boiling point
86-88℃
2.1 Refractive index
1.4421-1.4441
2.1 Flash Point
3℃
2.2 Vapour Pressure
58.6±0.2 mmHg at 25°C
2.3 Precise Quality
71.07350
2.3 PSA
12.03000
2.3 logP
0.69860
2.3 Solubility
water: miscible
2.4 Viscosity
6.1472X10-3 Pa.s
2.5 VaporDensity
2.45 (vs air)
2.6 Appearance
clear to yellow liquid
2.7 Storage
Air Sensitive. Store under Argon. Ambient temperatures.
2.8 Chemical Properties
Pyrrolidine appears as a colorless to pale yellow liquid with an ammonia-like odor. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.Pyrrolidine is a cyclic amine whose five-membered ring contains four carbon atoms and one nitrogen atom; the parent compound of the pyrrolidine family. It is a saturated organic heteromonocyclic parent, a member of pyrrolidines and an azacycloalkane. It is a conjugate base of a pyrrolidinium ion.
2.9 Color/Form
Colorless to pale yellow liq
2.10 Corrosivity
Corrosive
2.11 Decomposition
When heated to decomposition it emits highly toxic fumes of /nitrogen oxides/.
2.12 Heat of Combustion
-673.75 Kcal/mol at 298 K and 1 atm
2.13 Heat of Vaporization
529 J/g at 0.1 MPa
2.14 HenrysLawConstant
2.39e-06 atm-m3/mole
2.15 Odor
Unpleasant, ammoniacal odor
2.16 PH
12.9 (100g/l, H2O, 20℃)
2.17 pKa
11.27(at 25℃)
2.18 Water Solubility
water: miscible
2.19 Spectral Properties
MAX ABSORPTION (GAS): 171 NM (LOG E= 3.4); 196 NM (LOG E= 3.3)
Index of refraction: 1.4402 at 28 deg C/D
IR: 1908 (Sadtler Research Laboratories Prism Collection)
1H NMR: 6405 (Sadtler Research Laboratories Spectral Collection)
MASS: 19103 (NIST/EPA/MSDC Mass Spectral database, 1990 version)
Raman: 250 (American Petroleum Institute spectral collection)
13C NMR: 84 (Johnson and Jankowski, Carbon-13 NMR for Organic Chemists, John Wiley & Sons, New York)
2.20 Stability
Stable; flammable. Incompatible with strong acids, strong oxidizing agents.
2.21 StorageTemp
Store below +30°C.
2.22 Surface Tension
3.0564X10-2 N/m at 283.15 K
