4-Methoxypyridin

4-Methoxypyridine

HCID 69278CAS 620-08-6

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Grundinformationen

Standard-SMILES: COc1ccncc1
InChIKey: XQABVLBGNWBWIV-UHFFFAOYSA-N
Summenformel: C6H7NO
Durchschnittliche Molmasse: 109,13 g/mol
Monoisotopische Masse: 109,05276384

Namen und Bezeichner

Bevorzugter Name: 4-Methoxypyridine
IUPAC: 4-methoxypyridine
Lokaler Name: 4-Methoxypyridin
Englischer Name: 4-Methoxypyridine
Summenformel: C6H7NO
Molmasse: 109.13

Namen und Synonyme

4-Methoxypyridine620-08-6DTXSID10211029RefChem:99673DTXCID60133520210-624-7Pyridine, 4-methoxy-MFCD00674049.gamma.-Methoxypyridine4-methoxylpyridine4-methoxy-pyridineEINECS 210-624-7

Weitere Namen anzeigen

4-Methoxypyridin4-methoxyridine4-methoxypridine4-Methoxypyridine>gamma-Methoxypyridine4-Methoxypyridine,99%4-METHOXYPYRIDINE, 98+%

4-Methoxypyridine 95+%4-Methoxypyridine, 97%AKOS002664334HY-W007634gamma-Methoxypyridine;EN300-84486AC-907/25004551methyl pyridin-4-yl ether

Datenbank-Bezeichner

CAS: 620-08-6
PubChem CID: 69278
DTXSID: DTXSID10211029
EC Number: 210-624-7
Nikkaji: J96.108F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 59,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

LogP1.0

Ionization Efficiency · 6 Einträge

Positive

3.24

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt: 4 °C · 4 °C
Siedepunkt: 108 · 108-111 °C/65 mmHg (lit.)
Dichte: 1.075 g/mL · 1.075 g/mL at 25 °C (lit.)
Brechungsindex: 1.518 · 1.518-1.522
Flammpunkt: 74 °C · 74 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 6.58 · 6.58(at 25℃)
Wichte: 1.075 · 1.075
Farbe: Clear colorless to slightly yellow
BRN: 108211 · 108211
InChI: InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey: XQABVLBGNWBWIV-UHFFFAOYSA-N
SMILES: C1=NC=CC(OC)=C1
CAS Datenbank: 620 · 620-08-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · Pyridine, 4-methoxy-(620-08-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 37/39-26-36-36/37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Methoxypyridine, is used as a building block for the synthesis of some biologically active compounds. It is used for the preparation of a new series of benzoylated N-ylides as protein farnesyltransferase inhibitors.