3-pyrrolidone

Modify Date: 2026-07-09 22:15:43

3-pyrrolidone Structure
3-pyrrolidone structure
Common Name 3-pyrrolidone
CAS Number 96-42-4 Molecular Weight 85.104
Density 1.0±0.1 g/cm3 Boiling Point 156.0±23.0 °C at 760 mmHg
Molecular Formula C4H7NO Melting Point N/A
MSDS USA Flash Point 79.9±22.8 °C

 Names

Name pyrrolidin-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 156.0±23.0 °C at 760 mmHg
Molecular Formula C4H7NO
Molecular Weight 85.104
Flash Point 79.9±22.8 °C
Exact Mass 85.052765
PSA 29.10000
LogP -1.10
Vapour Pressure 2.9±0.3 mmHg at 25°C
Index of Refraction 1.452
InChIKey QGKLPGKXAVVPOJ-UHFFFAOYSA-N
SMILES O=C1CCNC1

 Safety Information

Hazard Codes Xi
Risk Phrases 37/38-41
Safety Phrases 26-39
HS Code 2933990090

 Synthetic Route

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3-pyrrolidone Structure

3-pyrrolidone

CAS#:96-42-4

Learn More
Literature: Angewandte Chemie, , vol. 69, p. 60

~%

3-pyrrolidone Structure

3-pyrrolidone

CAS#:96-42-4

Learn More
Literature: Archiv der Pharmazie, , vol. 341, # 12 p. 780 - 786

~%

3-pyrrolidone Structure

3-pyrrolidone

CAS#:96-42-4

Learn More
Literature: Angewandte Chemie, , vol. 69, p. 60

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 3-pyrrolidoneBioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

3-pyrrolidone
3-Pyrrolidinone
Pyrrolidin-3-on
3-Oxo-pyrrolidin
Pyrrolidin-3-one
3-Oxopyrrolidine
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