4-Bromo-7-chloroquinoline

HCID 10977638

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Grundinformationen

CAS: 98519-65-4
Standard-SMILES: Clc1ccc2c(Br)ccnc2c1
InChIKey: IVPHNMMNLBTDRQ-UHFFFAOYSA-N
Summenformel: C9H5BrClN
Durchschnittliche Molmasse: 242,5 g/mol
Monoisotopische Masse: 240,92939

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-7-chloroquinoline
IUPAC: 4-bromo-7-chloroquinoline
Englischer Name: 4-Bromo-7-chloroquinoline
Summenformel: C9H5BrClN
Molmasse: 242.5

Namen und Synonyme

4-Bromo-7-chloroquinoline98519-65-4DTXSID00450541RefChem:291002DTXCID504013614-bromo-7-chloro-quinolineMFCD07700232Quinoline, 4-bromo-7-chloro-SCHEMBL2186942IVPHNMMNLBTDRQ-UHFFFAOYSA-NAKOS0094564694-Bromo-7-chloroquinoline, AldrichCPR

Weitere Namen anzeigen

7-chloro-4-bromo-quinoline4-Bromo-7-chloro-1-azanaphthalene

AB42126CS-W005453DS-10869SY021119DB-080540F076952

Datenbank-Bezeichner

CAS: 98519-65-4
PubChem CID: 10977638
DTXSID: DTXSID00450541
EC Number: 804-511-7
Nikkaji: J1.311.076J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
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: 101 · 101-103°C
Siedepunkt: 331.3 · 331.3±22.0 °C(Predicted)
Dichte: 1.673 · 1.673
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, DMSO, Methanol
pka: 1.81 · 1.81±0.27(Predicted)
Aggregatzustand: Solid
Farbe: Tan
InChI: 1S/C9H5BrClN/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H
InChIKey: IVPHNMMNLBTDRQ-UHFFFAOYSA-N
SMILES: Clc1ccc2c(Br)ccnc2c1

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 38 reports by companies from 1 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 2933499090
risk_code: 25-41
hazard_code: T
safety_code: 26-39-45
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1