2-Fluorpyridin

2-Fluoropyridine

HCID 9746CAS 372-48-5

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Grundinformationen

Standard-SMILES: Fc1ccccn1
InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N
Summenformel: C5H4FN
Durchschnittliche Molmasse: 97,09 g/mol
Monoisotopische Masse: 97,03277735

Namen und Bezeichner

Bevorzugter Name: 2-Fluoropyridine
IUPAC: 2-fluoropyridine
Lokaler Name: 2-Fluorpyridin
Englischer Name: 2-Fluoropyridine
Summenformel: C5H4FN
Molmasse: 97.09

Namen und Synonyme

2-Fluoropyridine372-48-5PYRIDINE, 2-FLUORO-WKQ4JPY48SAI3-28562NSC-5077DTXSID70190689RefChem:87187DTXCID60113180206-757-5Pyridine, fluoro-MFCD00006224

Weitere Namen anzeigen

2-CYANOPHENYLBORONIC ACID2-Fluoropyride2-Fluorpyridin2-fluoro-pyridin2-Fluoroypyridine2-Fluorpyridin CAS2-fluoride pyridine

o-fluoropyridineCCRIS 1725NSC 50772-Fluoropyridine; 2-Pyridyl Fluoride; NSC 5077;EINECS 206-757-5BRN 0001515fluoropyridine2Fluoropyridine

Datenbank-Bezeichner

CAS: 372-48-5
PubChem CID: 9746
DTXSID: DTXSID70190689
ChEMBL: CHEMBL1162360
UNII: WKQ4JPY48S
EC Number: 206-757-5
Nikkaji: J43D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.84

Vapor Pressure26.6 [mmHg]

Physical DescriptionClear dark brown liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Siedepunkt: 126 °C/753 · 126 °C/753 mmHg (lit.)
Dichte: 1.128 g/mL · 1.128 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.466(lit.)
Flammpunkt: 83 °F · 83 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: Liquid
pka: -0.44 · -0.44(at 25℃)
Farbe: Clear colorless to light yellow
Wichte: 1.13 · 1.13
Wasserlöslichkeit: Soluble in water.
BRN: 1515 · 1515
Dielectric constant: 37.29 · 37.289999999999999
InChI: InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC=C1
CAS Datenbank: 372 · 372-48-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Fluoropyridine(372-48-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Fluoropyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29333999
RTECS-Nr.: UT3900000
risk_code: 10-36/37/38-20/21/22
hazard_code: Xi,F,Xn
hazard_note: Flammable/Irritant
safety_code: 26-36-36/37/39-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Fluoropyridine is a useful precursor of 2,3-disubstituted pyridines which is made by the possibility of metallation at C-3, together with the ready nucleophilic displacement of the activated fluorine. It can also react with thiophene to get 2-thiophen-2-yl-pyridine. It is used in the synthesis of aminopyridines.