Pyridine, 3-fluoro-, 1-oxide

HCID 123084CAS 695-37-4

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Grundinformationen

Standard-SMILES: [O-][n+]1cccc(F)c1
InChIKey: QVGBDRDOWKIYHK-UHFFFAOYSA-N
Summenformel: C5H4FNO
Durchschnittliche Molmasse: 113,09 g/mol
Monoisotopische Masse: 113,02769197

Namen und Bezeichner

Bevorzugter Name: Pyridine, 3-fluoro-, 1-oxide
IUPAC: 3-fluoro-1-oxidopyridin-1-ium
Englischer Name: 3-Fluoropyridine N-oxide
Summenformel: C5H4FNO
Molmasse: 113.09

Namen und Synonyme

3-Fluoropyridine 1-oxide695-37-43-fluoropyridin-1-ium-1-olatePyridine, 3-fluoro-, 1-oxideDTXSID40219730RefChem:870654DTXCID90142221677-001-33-Fluoropyridine N-oxide3-Fluoropyridine-N-oxide3-fluoro-1-oxidopyridin-1-iumMFCD03095181

Weitere Namen anzeigen

3-fluoro-1$l^{5}-pyridin-1-one3-fluoro-1-oxido-pyridin-1-ium3-fluoro-1-oxidanidyl-pyridin-1-ium3-FLUOROPYRIDINE N-OXIDE ISO 9001：2015 REACH

3-Fluoropyridine-1-oxide3-Fluoropyridine1-oxide1-oxido-3-fluoropyridine3-fluoro-pyridine 1-oxide3-fluoro-pyridine-1-oxideSCHEMBL506482SCHEMBL1515580SCHEMBL6552079

Datenbank-Bezeichner

CAS: 695-37-4
PubChem CID: 123084
DTXSID: DTXSID40219730
EC Number: 677-001-3
Nikkaji: J946.823D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 25,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 78,8

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-68°C
Siedepunkt: 275 ℃ · 275℃
Dichte: 1.18 · 1.18
Flammpunkt: 120 ℃ · 120℃
pka: 0.16 · 0.16±0.10(Predicted)
Wasserlöslichkeit: Slightly soluble in water.
CAS Datenbank: 695 · 695-37-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/37/38
safety_code: 26-36

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3-Fluoropyridine N-oxide is an important organic synthetic intermediate and chemical reagent. It introduces a fluorine atom at the meta position of the pyridine ring and activates the entire molecule through the N-oxide group, giving it unique applications in medicinal chemistry, materials science, and radioisotope labeling. It is typically a white or slightly yellow solid used to construct more complex molecular structures.

Verwenden3-FLUOROPYRIDINE N-OXIDE is utilized as a reagent in organic synthesis, particularly for the preparation of heterocyclic compounds. Known for its mild toxicity and limited environmental impact, 3-Fluoropyridine N-oxide is a favorable choice for various industrial and research applications.