8-Bromoquinoline

HCID 140109CAS 16567-18-3

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Grundinformationen

Standard-SMILES: Brc1cccc2cccnc12
InChIKey: PIWNKSHCLTZKSZ-UHFFFAOYSA-N
Summenformel: C9H6BrN
Durchschnittliche Molmasse: 208,05 g/mol
Monoisotopische Masse: 206,96836129

Namen und Bezeichner

Bevorzugter Name: 8-Bromoquinoline
IUPAC: 8-bromoquinoline
Englischer Name: 8-Bromoquinoline
Summenformel: C9H6BrN
Molmasse: 208.05

Namen und Synonyme

8-BromoquinolineRefChem:547864630-629-116567-18-3Quinoline, 8-bromo-8-Bromo-quinolineMFCD001918598-Bromoquinoline #8-Bromoquinoline, 98%SCHEMBL196509SCHEMBL1926970SCHEMBL6312154

Weitere Namen anzeigen

8-BromoquinoL8-BROMOQUIOLINE8-BroMoquinolline8-bromooquinolineRARECHEM AK ML 01468-Bromoquinoline,98%8-Bromoquinoline,96%8-Bromoquinoline ,97%

SCHEMBL10476670SCHEMBL27167448SCHEMBL29022899DTXSID10168009SBB054586AKOS001476139AB04626AC-1231

Datenbank-Bezeichner

CAS: 16567-18-3
PubChem CID: 140109
DTXSID: DTXSID10168009
EC Number: 630-629-1
Nikkaji: J903.987B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-59 °C
Siedepunkt: 112 · 112-113 °C/0.5 mmHg (lit.)
Dichte: 1.594 g/mL · 1.594 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.672(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: Liquid After Melting
pka: 2.33 · 2.33±0.17(Predicted)
Wichte: 1.594 · 1.594
Farbe: Clear yellow to yellow-brown
InChI: InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey: PIWNKSHCLTZKSZ-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2Br)C=CC=1
CAS Datenbank: 16567 · 16567-18-3(CAS DataBase Reference)
NIST chemische Informationen: 8 · Quinoline, 8-bromo-(16567-18-3)

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 49 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: 29334900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden8-Bromoquinoline may be used in the following studies:Synthesis of 8-(dimesitylboryl)quinolone (ambiphilic molecule).Direct synthesis of 5H-pyrido[3,2,1-ij]quinolin-3-one, via palladium catalyzed coupling reaction with acrolein.Preparation of 8-(1-hydroxyethyl)quinolone.Preparation of 8-quinolylcyclopentadienyl metal complexes, via reaction with zincated cyclopentadienyl derivatives of Fe, Mn and Re in the presence of bis(triphenylphosphine)palladium(0).Synthesis of n,n′-biquinolines by a coupling reaction using tris(triphenylphosphine)nickel(0) and a zerovalent pyridine-nickel complex.