3-Fluorpyridin

3-Fluoropyridine

HCID 67794CAS 372-47-4

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Grundinformationen

Standard-SMILES: Fc1cccnc1
InChIKey: CELKOWQJPVJKIL-UHFFFAOYSA-N
Summenformel: C5H4FN
Durchschnittliche Molmasse: 97,09 g/mol
Monoisotopische Masse: 97,03277735

Namen und Bezeichner

Bevorzugter Name: 3-Fluoropyridine
IUPAC: 3-fluoropyridine
Lokaler Name: 3-Fluorpyridin
Englischer Name: 3-Fluoropyridine
Summenformel: C5H4FN
Molmasse: 97.09

Namen und Synonyme

3-Fluoropyridine372-47-4Pyridine, 3-fluoro-CCRIS 1717NSC 5078EINECS 206-755-4DTXSID10190688RefChem:93977Pyridine, 3-fluoro-(8CI)DTXCID50113179Pyridine, 3-fluoro-(8CI)(9CI)206-755-4

Weitere Namen anzeigen

2503-Floro-pyridine3-Fluoroypyridine3-Fluoropyridine>Pyridine, 3-fluoro-3-Fluoropyridine 98%3-Fluoropyridine,98%3-Fluoropyridine,99%3-Fluoropyridine, 99% 1GR

CELKOWQJPVJKIL-UHFFFAOYSA-NInChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4MFCD00006374AP9KGY2VWZNSC-50783-fluropyridine3-fluoro-pyridineUNII-AP9KGY2VWZ

Datenbank-Bezeichner

CAS: 372-47-4
PubChem CID: 67794
DTXSID: DTXSID10190688
ChEMBL: CHEMBL1162361
UNII: AP9KGY2VWZ
EC Number: 206-755-4
Nikkaji: J150.742G

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

SpringerMaterials PropertiesCoriolis coupling

Physikochemische Eigenschaften

Schmelzpunkt: 251 · 251-254°C (dec.)
Siedepunkt: 107 · 107-108 °C (lit.)
Dichte: 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.472(lit.)
Flammpunkt: 56 °F · 56 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
pka: 1 · pK1:2.97(+1) (25°C)
Wichte: 1.13 · 1.130
Farbe: Clear yellow
BRN: 105702 · 105702
InChI: InChI=1S/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey: CELKOWQJPVJKIL-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1F
CAS Datenbank: 372 · 372-47-4(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-F-pyridine(372-47-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 61 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29333990
risk_code: 11-36/37/38-20/21/22
hazard_code: F,Xi,Xn
hazard_note: Flammable/Irritant
safety_code: 16-26-36/37/39-33-7/9
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-Fluoropyridine was used in the synthesis of 3-halopyridin-4-yl-boronic acids and esters.

Darstellung

synthetischeA combination of CsF and HF provides a very reactive fluoride source and has shown faint promise with 3-chloropyridine giving 3-fluoropyridine in a very low yield.