6-Methoxy-2-methylchinolin

6-Methoxyquinaldine

HCID 70648CAS 1078-28-0

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Grundinformationen

Standard-SMILES: COc1ccc2nc(C)ccc2c1
InChIKey: NAGJQQFMJKMXJQ-UHFFFAOYSA-N
Summenformel: C11H11NO
Durchschnittliche Molmasse: 173,21 g/mol
Monoisotopische Masse: 173,08406397

Namen und Bezeichner

Bevorzugter Name: 6-Methoxyquinaldine
IUPAC: 6-methoxy-2-methylquinoline
Lokaler Name: 6-Methoxy-2-methylchinolin
Englischer Name: 6-Methoxyquinaldine
Summenformel: C11H11NO
Molmasse: 173.21

Namen und Synonyme

6-Methoxy-2-methylquinoline6-Methoxyquinaldine1078-28-02-Methyl-6-methoxyquinolineQuinoline, 6-methoxy-2-methyl-Quinaldine, 6-methoxy-NSC 15557NSC-15557YC360F525AEINECS 214-080-1UNII-YC360F525ADTXSID70148246

Weitere Namen anzeigen

6-Methoxyquildine, 99%6-Methoxyquinaldine98%6-Methoxyquinaldine,97%6-Methoxy-2-methylquinoline>6-Methoxy-2-methylquinoline, 98.5%

RefChem:104960Quinaldine, 6-methoxy-(8CI)DTXCID5070737Quinoline, 6-methoxy-2-methyl-(9CI)InChI=1/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2HNAGJQQFMJKMXJQ-UHFFFAOYSA-N6-methoxy-2-methyl-quinolineMFCD00006761

Datenbank-Bezeichner

CAS: 1078-28-0
PubChem CID: 70648
DTXSID: DTXSID70148246
UNII: YC360F525A
EC Number: 214-080-1
Nikkaji: J143.875A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-64 °C(lit.)
Siedepunkt: 303.86 °C · 303.86°C (rough estimate)
Dichte: 0.973 · 0.973
Brechungsindex: 1.495 · 1.4950 (estimate)
Flammpunkt: 47 ° · 47°(117°F)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Fluffy Crystalline Powder
pka: 5.87 · 5.87±0.43(Predicted)
Farbe: Beige to gray
InChI: 1S/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2H3
InChIKey: NAGJQQFMJKMXJQ-UHFFFAOYSA-N
SMILES: COc1ccc2nc(C)ccc2c1
CAS Datenbank: 1078 · 1078-28-0(CAS DataBase Reference)
NIST chemische Informationen: 6 · Quinoline, 6-methoxy-2-methyl-(1078-28-0)

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 45 reports by companies from 5 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
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden6-Methoxyquinaldine was used in the preparation and characterization of three RNA-specific fluorescent probes (E36, E144and F22) and their applications in live cell imaging.