1-Boc-3-fluoro-4-pyrrolidinone

HCID 45158916

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Grundinformationen

CAS: 845894-03-3
Standard-SMILES: CC(C)(C)OC(=O)N1CC(=O)C(F)C1
InChIKey: HPHVNLXMQXEDFX-UHFFFAOYSA-N
Summenformel: C9H14FNO3
Durchschnittliche Molmasse: 203,21 g/mol
Monoisotopische Masse: 203,09577153

Namen und Bezeichner

Bevorzugter Name: 1-Boc-3-fluoro-4-pyrrolidinone
IUPAC: tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
Englischer Name: BOC-3-FLUORO-4-OXOPYRROLIDINE
Summenformel: C9H14FNO3
Molmasse: 203.21

Namen und Synonyme

1-BOC-3-FLUORO-4-PYRROLIDINONERefChem:430080805-025-8845894-03-3tert-Butyl 3-fluoro-4-oxopyrrolidine-1-carboxylateMFCD08274459BOC-3-FLUORO-4-OXOPYRROLIDINE1-Boc-4-fluoro-3-pyrrolidinoneC9H14FNO34-Fluoropyrrolidin-3-one, N-BOC protected1-Pyrrolidinecarboxylic acid, 3-fluoro-4-oxo-, 1,1-dimethylethyl estertert-Butyl3-fluoro-4-oxopyrrolidine-1-carboxylate

Weitere Namen anzeigen

N-Boc-3-fluoro-4-oxopyrrolidineN-T-BOC-3-FLUORO-4-OXOPYRROLIDINE4-Fluoropyrrolidin-3-one,N-BOCprotected

SCHEMBL954970DTXSID506698031-Boc-3-fluoro-4-oxopyrrolidineHPHVNLXMQXEDFX-UHFFFAOYSA-N3-fluoro-4-oxopyrrolidine-1-carboxylic acid tert-butyl esterAKOS015891442CS-W001654SB12008

Datenbank-Bezeichner

CAS: 845894-03-3
PubChem CID: 45158916
DTXSID: DTXSID50669803
EC Number: 805-025-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 46,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 259

Physikochemische Eigenschaften

storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: solid
Farbe: White to off-white
Wasserlöslichkeit: Slightly soluble in water.
CAS Datenbank: 845894 · 845894-03-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen

Verwenden1-Boc-3-fluoro-4-pyrrolidinone is used as an intermediate in the manufacture of various substances such as pharmaceuticals, agrochemicals and dyestuffs.