1-Brom-2-methylnaphthalin

1-Bromo-2-methylnaphthalene

HCID 75754CAS 2586-62-1

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Grundinformationen

Standard-SMILES: Cc1ccc2ccccc2c1Br
InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N
Summenformel: C11H9Br
Durchschnittliche Molmasse: 221,09 g/mol
Monoisotopische Masse: 219,98876239

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2-methylnaphthalene
IUPAC: 1-bromo-2-methylnaphthalene
Lokaler Name: 1-Brom-2-methylnaphthalin
Englischer Name: 1-Bromo-2-methylnaphthalene
Summenformel: C11H9Br
Molmasse: 221.09

Namen und Synonyme

1-Bromo-2-methylnaphthalene2586-62-1DTXSID501805081-BMN cpdRefChem:75079DTXCID20102999219-966-1Naphthalene, 1-bromo-2-methyl-2-Methyl-1-bromonaphthaleneMFCD00003871.beta.-Methyl-.alpha.-bromonaphthalene1-bromo-2-methyl-naphthalene

Weitere Namen anzeigen

1-broMo-2-Methylphthalene1-Bromo-2-methylnaphtalene1-Bromo-2-methylnaphthalene >beta-Methyl-alpha-bromonaphthalene1-BroMo-2-Methylnaphthalene, GC 90%1-Bromo-2-methylnaphthalene, 90-95%

1-Bromo-2-methyl naphthaleneSCHEMBL103139NSC 36286AC-27865CS-0128760F20354J-640280Z1251333005

Datenbank-Bezeichner

CAS: 2586-62-1
PubChem CID: 75754
DTXSID: DTXSID50180508
EC Number: 219-966-1
Nikkaji: J192.096K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 155

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Siedepunkt: 296 °C · 296 °C (lit.)
Dichte: 1.418 g/mL · 1.418 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.648(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear yellow
Wasserlöslichkeit: Not miscible in water.
BRN: 2042531 · 2042531
InChI: InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=CC=C1C
CAS Datenbank: 2586 · 2586-62-1(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 40 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: 29039990
risk_code: 36/37/38-11
hazard_code: Xi
safety_code: 26-36-24/25
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-2-methylnaphthalene is used as test compound in determination of halogenated hydrocarbons at trace levels by supercritical fluid chromatography-microwave-induced plasma mass spectrometry. Dynamic phosphorescence quenching of 1-bromo-2-methylnaphthalene without deoxygenation has been used for selective sensing of Cu(II) at ngm levels.