Quinoline-6-carbonitrile

HCID 592995CAS 23395-72-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#Cc1ccc2ncccc2c1
InChIKey: NIFLNJLWZZABMI-UHFFFAOYSA-N
Summenformel: C10H6N2
Durchschnittliche Molmasse: 154,17 g/mol
Monoisotopische Masse: 154,0530982

Namen und Bezeichner

Bevorzugter Name: Quinoline-6-carbonitrile
IUPAC: quinoline-6-carbonitrile
Englischer Name: quinoline-6-carbonitrile
Summenformel: C10H6N2
Molmasse: 154.17

Namen und Synonyme

quinoline-6-carbonitrile23395-72-4DTXSID60343900RefChem:1097878DTXCID502949776-Cyanoquinoline6-QuinolinecarbonitrileMFCD099995436-Cyano quinoline6-Quinolinecarbonitrile #SCHEMBL506632AKOS005256934

Weitere Namen anzeigen

Benzaldehyde,3,4-dichloro-5-hydroxy-

FS-2824SB35812CS-0019004EN300-42062Quinolin-6-carbonitrileFT-0647923A878254orb3023533

Datenbank-Bezeichner

CAS: 23395-72-4
PubChem CID: 592995
DTXSID: DTXSID60343900
EC Number: 806-190-9
Nikkaji: J1.410.224H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Schmelzpunkt: 133 · 133-134℃ (methanol )
Siedepunkt: 323.7 · 323.7±15.0 °C(Predicted)
Dichte: 1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.5 · 3.50±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.