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Merck
CN

240338

2-Pyrrolidinone

≥99%

Synonym(s):

2-Pyrrolidone, Butyrolactam

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About This Item

Empirical Formula (Hill Notation):
C4H7NO
CAS Number:
616-45-5
Molecular Weight:
85.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854414
EC Number:
210-483-1
Beilstein/REAXYS Number:
105241
MDL number:
MFCD00005270

Key Documents

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Product Name

2-Pyrrolidinone, ≥99%

InChI key

HNJBEVLQSNELDL-UHFFFAOYSA-N

InChI

1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

SMILES string

O=C1CCCN1

vapor density

2.9 (vs air)

assay

≥99%

form

solid

refractive index

n20/D 1.487 (lit.)

bp

245 °C (lit.)

mp

23-25 °C (lit.)

solubility

benzene: miscible(lit.)
carbon disulfide: miscible(lit.)
chloroform: miscible(lit.)
diethyl ether: miscible(lit.)
ethanol: miscible(lit.)
ethyl acetate: miscible(lit.)
water: miscible(lit.)

density

1.12 g/mL at 25 °C (lit.)

Quality Level

200

Gene Information

rat ... Gabra2(29706)

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Application

2-Pyrrolidinone is used as a starting material in the synthesis of polyvinylpyrrolidone (PVP), (±)-tashiromine, (±)-tetraponerine T4, (+)-ricciocarpins A and B.

General description

The FT-IR spectra of the hydrogen bonding lactam 2-pyrrolidinone in CCl4 was studied.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ3079
MKCX2512
MKCV5154
MKCQ0751
MKCK5583

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Intramolecular Additions of Various ?-Nucleophiles to Chemoselectively Activated Amides and Application to the Synthesis of (?)-Tashiromine.
Belanger G, et al.
The Journal of Organic Chemistry, 71(2), 704-712 (2006)
Application of enantioselective radical reactions: synthesis of (+)-ricciocarpins A and B.
Sibi MP and He L
Organic Letters, 6(11), 1749-1752 (2004)
Photocatalyzed degradation of polymers in aqueous semiconductor suspensions: V. Photomineralization of lactam ring-pendant polyvinylpyrrolidone at titania/water interfaces.
Horikoshi S, et al.
Journal of Photochemistry and Photobiology A: Chemistry, 138(1), 69-77 (2001)
Electrophilic Activation of Lactams with Tf2O and Pyridine: Expedient Synthesis of (?)-Tetraponerine T4.
Charette A B, et al.
Organic Letters, 7(24), 5401-5404 (2005)
Kiran Sankar Maiti et al.
Physical chemistry chemical physics : PCCP, 14(47), 16294-16300 (2012-11-08)
The mid-IR spectrum of the hydrogen bonding lactam 2-pyrrolidinone in CCl(4) was studied using FT-IR spectroscopy accompanied by a quantum chemical anharmonic normal mode analysis combined with a Monte Carlo approach based on semi-empirical harmonic frequencies. We characterized and assigned
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