2-Bromo-6-methoxypyridine

HCID 256810

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Grundinformationen

CAS: 40473-07-2
Standard-SMILES: COc1cccc(Br)n1
InChIKey: KMODISUYWZPVGV-UHFFFAOYSA-N
Summenformel: C6H6BrNO
Durchschnittliche Molmasse: 188,02 g/mol
Monoisotopische Masse: 186,96327591

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-6-methoxypyridine
IUPAC: 2-bromo-6-methoxypyridine
Englischer Name: 2-Bromo-6-methoxypyridine
Summenformel: C6H6BrNO
Molmasse: 188.02

Namen und Synonyme

2-Bromo-6-methoxypyridine40473-07-2DTXSID90292619RefChem:85811DTXCID70243760628-883-32-Bromo-6-methoxy-pyridinePyridine, 2-bromo-6-methoxy-MFCD000883456-bromo-2-methoxypyridine2-bromo-6-methoxy pyridine2-Bromo-6-(methyloxy)pyridine

Weitere Namen anzeigen

NSC 841732-Methoxy-6-broMopyridine2-BROMO-6-METHOXYPYRIMIDINE2-Bromo-6-methoxypyridine >2-BROMO-6-METHOXY-PYRIDINE 98%2-Bromo-6-methoxypyridine ,98%

CS-D1443AKOS005259640AC-4757FG-0479EN300-87222F1967-3368NSC841732-Bromo-6-methoxy-

Datenbank-Bezeichner

CAS: 40473-07-2
PubChem CID: 256810
DTXSID: DTXSID90292619
EC Number: 628-883-3
Nikkaji: J1.211.870H

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: 206 °C · 206 °C (lit.)
Dichte: 1.53 g/mL · 1.53 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.559(lit.)
Flammpunkt: 220 °F · 220 °F
storage temp.: Inert atmosphere,Room Temperature
pka: -1.04 · -1.04±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to golden
InChI: InChI=1S/C6H6BrNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKey: KMODISUYWZPVGV-UHFFFAOYSA-N
SMILES: C1(Br)=NC(OC)=CC=C1
CAS Datenbank: 40473 · 40473-07-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenThe commercial 2-Bromo-6-methoxypyridine could be used as a starting material to synthesize cyclopenta[b]pyridin-2,5-dione. The overall route consists of a first sequence of regioselective ortho lithiation and methoxycarbonylation followed by Heck vinylation, alkene reduction, cyclization, and decarboxylation[1].