2-Chlor-6-methoxypyridin

2-Chloro-6-methoxypyridine

HCID 87009CAS 17228-64-7

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Grundinformationen

Standard-SMILES: COc1cccc(Cl)n1
InChIKey: VAVGOGHLNAJECD-UHFFFAOYSA-N
Summenformel: C6H6ClNO
Durchschnittliche Molmasse: 143,57 g/mol
Monoisotopische Masse: 143,01379149

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methoxypyridine
IUPAC: 2-chloro-6-methoxypyridine
Lokaler Name: 2-Chlor-6-methoxypyridin
Englischer Name: 2-Chloro-6-methoxypyridine
Summenformel: C6H6ClNO
Molmasse: 143.57

Namen und Synonyme

2-Chloro-6-methoxypyridine17228-64-7Pyridine, 2-chloro-6-methoxy-6-Chloro-2-methoxypyridine2-Methoxy-6-chloropyridineEINECS 241-264-9DTXSID00169247PYRIDINE,2-CHLORO,6-METHOXYRefChem:86345DTXCID4091738241-264-9InChI=1/C6H6ClNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H

Weitere Namen anzeigen

Chloro-6-Methoxypyridoro-6-methoxypyridine2-Chlor-6-methoxypyridine2-Chloro-6-methoxypyridine 98%2-Chloro-6-methoxypyridine,98%

VAVGOGHLNAJECD-UHFFFAOYSA-N2-chloro-6-methoxy-pyridineMFCD000062656-methoxy-2-chloropyridineSCHEMBL336762SCHEMBL491297SCHEMBL932747orb3030305

Datenbank-Bezeichner

CAS: 17228-64-7
PubChem CID: 87009
DTXSID: DTXSID00169247
EC Number: 241-264-9
Nikkaji: J127.301I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 89,1

Physikochemische Eigenschaften

Siedepunkt: 185 · 185-186 °C (lit.)
Dichte: 1.207 g/mL · 1.207 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.528(lit.)
Flammpunkt: 169 °F · 169 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
pka: 0.4 · 0.40±0.10(Predicted)
Farbe: Colorless to Almost colorless
BRN: 1364500 · 1364500
InChI: InChI=1S/C6H6ClNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKey: VAVGOGHLNAJECD-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(OC)=CC=C1
CAS Datenbank: 17228 · 17228-64-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pyridine, 2-chloro-6-methoxy-(17228-64-7)

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 46 reports by companies from 6 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
ridadr: 2810
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-37/39
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-6-methoxy-pyridine is a reagent used to synthesize imidazo[1,2-a]pyrimidines as functionally selective GABAA ligands. It can also be used to synthesize oxazolidinedione-arylpyridinones as EP3 receptor antagonists.