2,4-Dichloroquinoline

HCID 607503

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Grundinformationen

CAS: 703-61-7
Standard-SMILES: Clc1cc(Cl)c2ccccc2n1
InChIKey: QNBJYUUUYZVIJP-UHFFFAOYSA-N
Summenformel: C9H5Cl2N
Durchschnittliche Molmasse: 198,05 g/mol
Monoisotopische Masse: 196,97990452

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloroquinoline
IUPAC: 2,4-dichloroquinoline
Englischer Name: 2,4-Dichloroquinoline
Summenformel: C9H5Cl2N
Molmasse: 198.05

Namen und Synonyme

2,4-Dichloroquinoline703-61-7Quinoline, 2,4-dichloro-DTXSID60345843RefChem:82399DTXCID50296916640-568-2QNBJYUUUYZVIJP-UHFFFAOYSA-NMFCD000239392,4-dichloro-quinoline2,4-Dichloro quinolineCS-D0244

Weitere Namen anzeigen

AURORA KA-3862IFLAB-BB F1706-0118Quinoline,2,4-dichloro-2,4-Dichloroquinoline>2,4-Dichloroquinoline 98%2-4-Dichloro-1-azanaphthalene2,4-dichloroquinoline(SALTDATA: FREE)

AR3674AKOS005264636SY047605AF-753/002950022,4-Dichlorochinoline; 2,4-Dichloroquinoline ;2,4-bis(chloranyl)quinolineBCP20135AM804253

Datenbank-Bezeichner

CAS: 703-61-7
PubChem CID: 607503
DTXSID: DTXSID60345843
EC Number: 640-568-2
Nikkaji: J79.917C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-54
Siedepunkt: 282 °C · 282°C(lit.)
Dichte: 1.4178 · 1.4178 (rough estimate)
Brechungsindex: 1.661 · 1.6610 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Solid
pka: -1.1 · -1.10±0.50(Predicted)
Farbe: White
InChI: InChI=1S/C9H5Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChIKey: QNBJYUUUYZVIJP-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(Cl)=CC=1Cl
CAS Datenbank: 703 · 703-61-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (95.1%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 2933491090
risk_code: 36/37/38-41-37/38-25
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36-45-39
hazard_class: 6.1
packing_group: Ⅲ

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloroquinoline is used in the synthesis of tRNA synthetase inhibitors with antibacterial activity against gram-positive bacteria. Also used in the preparation of arylquinolines displaying anthelmintic properties.