5-Chloroquinoline

HCID 69458

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Grundinformationen

CAS: 635-27-8
Standard-SMILES: Clc1cccc2ncccc12
InChIKey: HJSRGOVAIOPERP-UHFFFAOYSA-N
Summenformel: C9H6ClN
Durchschnittliche Molmasse: 163,6 g/mol
Monoisotopische Masse: 163,0188769

Namen und Bezeichner

Bevorzugter Name: 5-Chloroquinoline
IUPAC: 5-chloroquinoline
Englischer Name: 5-Chloroquinoline
Summenformel: C9H6ClN
Molmasse: 163.6

Namen und Synonyme

5-Chloroquinoline635-27-8Quinoline, 5-chloro-CCRIS 3980DTXSID20212901RefChem:102400DTXCID10135392626-435-1HJSRGOVAIOPERP-UHFFFAOYSA-NMFCD002394135-Chloro-quinolineAKOS009156634

Weitere Namen anzeigen

5-chloroquiboline5-Chloroquinoline >5-Chloroquinoline hydrochloride5-CHLOROQUINOLINE ISO 9001：2015 REACH

CS-W0025815-Chloroquinoline, >=98.0% (GC)FS-3377SB67516SY025840C2997EN300-33415BCP32571

Datenbank-Bezeichner

CAS: 635-27-8
PubChem CID: 69458
DTXSID: DTXSID20212901
EC Number: 626-435-1
Nikkaji: J95.374A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
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: 28 · 28-32 °C
Siedepunkt: 263 °C · 263°C(lit.)
Dichte: 1.2108 · 1.2108 (rough estimate)
Brechungsindex: 1.611 · 1.6110 (estimate)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Chloroform, Ethyl Acetate, Methanol
Aggregatzustand: Solid
pka: 3.88 · 3.88±0.12(Predicted)
Farbe: Off-White to Yellow
BRN: 114722 · 114722
InChI: InChI=1S/C9H6ClN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKey: HJSRGOVAIOPERP-UHFFFAOYSA-N
SMILES: N1C2C(=C(Cl)C=CC=2)C=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 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.