6-Bromo-4-chloroquinoline

HCID 5139537

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Grundinformationen

CAS: 65340-70-7
Standard-SMILES: Clc1ccnc2ccc(Br)cc12
InChIKey: KJILYZMXTLCPDQ-UHFFFAOYSA-N
Summenformel: C9H5BrClN
Durchschnittliche Molmasse: 242,5 g/mol
Monoisotopische Masse: 240,92938894

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-4-chloroquinoline
IUPAC: 6-bromo-4-chloroquinoline
Englischer Name: 6-BROMO-4-CHLOROQUINOLINE
Summenformel: C9H5BrClN
Molmasse: 242.5

Namen und Synonyme

6-Bromo-4-chloroquinoline65340-70-7DTXSID60408689RefChem:307545DTXCID60359541833-852-44-CHLORO-6-BROMOQUINOLINE6-bromo-4-chloro-quinolineQUINOLINE, 6-BROMO-4-CHLORO-MFCD005110014-choro-6-bromoquinolineSCHEMBL359558

Weitere Namen anzeigen

BUTTPARK 23\09-04Quinoline,6-bromo-4-chloro-4--6-broMinechlorinequinoline6-Bromo-4-chloroquinoline ,97%6-Bromo-4-chloroquinoline ,98%6-Bromo-4-chloro-1-azanaphthalene6-BROMO-4-CHLOROQUINOLINE ISO 9001：2015 REACH

CS-M0120AKOS0026836866-Bromo-4-chloroquinoline, AldrichCPRAC-3130PB19880B5166EN300-60744AM20070115

Datenbank-Bezeichner

CAS: 65340-70-7
PubChem CID: 5139537
DTXSID: DTXSID60408689
UNII: NT9CC6HE7L
EC Number: 833-852-4
Nikkaji: J889.338A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 165

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-112℃
Siedepunkt: 314.6 · 314.6±22.0 °C(Predicted)
Dichte: 1.673 · 1.673±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: solid
pka: 2.76 · 2.76±0.16(Predicted)
InChI: InChI=1S/C9H5BrClN/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKey: KJILYZMXTLCPDQ-UHFFFAOYSA-N
SMILES: N1C2C(=CC(Br)=CC=2)C(Cl)=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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 (25%)

Sicherheitsdaten

wgk: 3
hs_code: 29334900
risk_code: 25-20/22
hazard_code: T
safety_code: 45-36/37
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden6-Bromo-4-chloroquinoline belongs to the class of heterocyclic compounds and has been used in the synthesis of other compounds, such as pharmaceuticals.