1-(4-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid

HCID 4182007

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 618070-30-7
Standard SMILES: O=C(O)C1CCN(c2ccc(F)cc2)C1=O
InChIKey: GKKWONDBUXUCHF-UHFFFAOYSA-N
Molecular formula: C11H10FNO3
Average molar mass: 223.2 g/mol
Monoisotopic mass: 223.06447134

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
IUPAC: 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
English name: 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
Molecular formula: C11H10FNO3
Molecular weight: 223.2

Names & synonyms

1-(4-FLUOROPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACIDRefChem:4255251-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid618070-30-7MFCD039328721-(4-fluorophenyl)-2-oxo-pyrrolidine-3-carboxylic Acid1-(4-Fluoro-phenyl)-2-oxo-pyrrolidine-3-carboxylic acid3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-2-oxo-SCHEMBL1137236DTXSID10400395GKKWONDBUXUCHF-UHFFFAOYSA-NTZA07030

Show more names

OTAVA-BB 1084280SALOR-INT L182966-1EAJR-6451, 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid, 97%

AKOS000169261AKOS016843839AB90928DB-345294CS-0250925EN300-52782F832241-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylicacid

Database identifiers

CAS: 618070-30-7
PubChem CID: 4182007
DTXSID: DTXSID10400395
EC Number: 636-385-2

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 300

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: Off-white to light yellow Solid
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.