3H-1,2-dihydro-1-pyrrolizinone

HCID 97347CAS 17266-64-7

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Basic information

Standard SMILES: O=C1CCn2cccc21
InChIKey: JXGLKOLYBRHCBH-UHFFFAOYSA-N
Molecular formula: C7H7NO
Average molar mass: 121.14 g/mol
Monoisotopic mass: 121.05276384

Overview

structure given in first source

Names & identifiers

Preferred name: 3H-1,2-dihydro-1-pyrrolizinone
IUPAC: 2,3-dihydropyrrolizin-1-one
English name: 1H-Pyrrolizin-1-one,2,3-dihydro-(6CI,7CI,8CI,9CI)
Molecular formula: C7H7NO
Molecular weight: 121.14

Names & synonyms

17266-64-73H-1,2-Dihydro-1-pyrrolizinone1H-Pyrrolizin-1-one, 2,3-dihydro-292J811G3PNSC-116800DTXSID80169366RefChem:95719DTXCID00918572,3-dihydro-1H-pyrrolizin-1-one2,3-dihydropyrrolizin-1-one2,3-Dihydro-1H-pyrrolizine-1-one2,3-Dihydro-1H-Pyrrolizin-1-one; NSC 116800;

Show more names

Ketorolac Keto pyrrole Impurity2,3-Dihydro-1H-pyrrolo[1,2-a]pyrazin-1-one

UNII-292J811G3PDihydropyrrolizinonMFCD01860302NSC116800NSC 1168001H-Pyrrolizin-1-one,2,3-dihydro-(6CI,7CI,8CI,9CI)1, 2-dihydro-1-pyrrolizinoneSCHEMBL8829557

Database identifiers

CAS: 17266-64-7
PubChem CID: 97347
DTXSID: DTXSID80169366
UNII: 292J811G3P
EC Number: 838-350-9
Nikkaji: J1.308.747D

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 22 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 58 · 58-59 °C
Boiling point: 82 · 82-84 °C(Press: 0.2 Torr)
Density: 1.26 · 1.26±0.1 g/cm3(Predicted)
pka: -7.97 · -7.97±0.20(Predicted)
FDA UNII: 292 J811G3P · 292J811G3P
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P