616-45-5
Product Name:
2-Pyrrolidinone
Formula:
C4H7NO
Synonyms:
γ-Butyrolactam;2-Pyrrolidinone;2-Pyrrolidone;Butyrolactam
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | CRYSTALS FROM COLD PETROLEUM ETHER |
| Boiling Point | 245 °C @ 760 mm Hg; 113-114 @ 9.2 mm Hg; 76 °C @ 0.2 mm Hg |
| Melting Point | 25.0 °C |
| Flash Point | 265 °F (129 °C) (open cup) |
| Solubility | Very sol in alcohol, ether, benzene, chloroform, carbon disulfide |
| Density | 1.116 @ 25 °C |
| Vapor Density | Relative vapor density (air = 1): 2.9 |
| Vapor Pressure | 0.00949 [mmHg] |
| LogP | log Kow= -0.85 |
| Stability/Shelf Life | GOOD CHEMICAL STABILITY |
| Decomposition | WHEN HEATED TO DECOMPOSITION IT EMITS TOXIC FUMES OF NITROXIDES. |
| Viscosity | 13.3 CP @ 25 °C |
| Corrosivity | Non-corrosive |
| Heat of Combustion | -546.9 |
| Heat of Vaporization | 666 kJ/kg (enthalpy of evaporation) |
| Refractive Index | INDEX OF REFRACTION: 1.4806 @ 30 °C/D; SADTLER REF NUMBER: 7235 (IR, PRISM); 818 (NMR) |
| Dissociation Constants | pKa= 14.7 |
| Kovats Retention Index | 1045 1048 |
| Other Experimental Properties | Dipole moment: 2.3 |
| Chemical Classes | Nitrogen Compounds -> Other Nitrogen Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 85.10 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 85.052763847 g/mol |
| Monoisotopic Mass | 85.052763847 g/mol |
| Topological Polar Surface Area | 29.1 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 69.9 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pyrrolidin-2-one is the simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of gamma-aminobutyric acid (GABA). It has a role as a polar solvent and a metabolite.