1-Brom-2-methoxynaphthalin

1-Bromo-2-methoxynaphthalene

HCID 72860CAS 3401-47-6

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Grundinformationen

Standard-SMILES: COc1ccc2ccccc2c1Br
InChIKey: XNIGURFWNPLWJM-UHFFFAOYSA-N
Summenformel: C11H9BrO
Durchschnittliche Molmasse: 237,09 g/mol
Monoisotopische Masse: 235,98367701

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2-methoxynaphthalene
IUPAC: 1-bromo-2-methoxynaphthalene
Lokaler Name: 1-Brom-2-methoxynaphthalin
Englischer Name: 1-BROMO-2-METHOXYNAPHTHALENE
Summenformel: C11H9BrO
Molmasse: 237.09

Namen und Synonyme

1-Bromo-2-methoxynaphthalene3401-47-6Naphthalene, 1-bromo-2-methoxy-NSC 110660DTXSID40187622EINECS 222-272-1RefChem:75075DTXCID00110113222-272-1XNIGURFWNPLWJM-UHFFFAOYSA-N1-Bromo-2-methoxy-NaphthaleneMFCD00055374

Weitere Namen anzeigen

1-Bromo-2-methoxynapthalene2-Methoxy-1-naphtyl bromide1-Bromo-2-Naphthalene Methyl Ether1-Bromo-2-methoxynaphthalene, >=97%1-BROMO-2-METHOXYNAPHTHALENE,3401-47-6,OLED Intermediates,organic synthetic intermediate

NSC1106601-Bromo-2-methoxy-naphtaleneHMS1445J08CCG-51167IDI1_016521SY037749AE-848/30709025SR-01000640482-1

Datenbank-Bezeichner

CAS: 3401-47-6
PubChem CID: 72860
DTXSID: DTXSID40187622
EC Number: 222-272-1
Nikkaji: J205.505H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 80 · 80-83 °C
Siedepunkt: 190 · 190-192 °C(Press: 22 Torr)
Dichte: 1.447 · 1.447±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 2045600 · 2045600
InChI: InChI=1S/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKey: XNIGURFWNPLWJM-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=CC=C1OC
CAS Datenbank: 3401 · 3401-47-6(CAS DataBase Reference)

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 41 reports by companies from 3 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: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-2-methoxy-naphthalene is a useful synthetic intermediate. It is used as a reagent to synthesize a catalyst for highly enantioselective aziridination of styrene derivatives. It can also be used to prepare biaryls or biheterocycles by palladium-catalyzed Ullmann coupling.