7-Bromo-2-chloroquinoxaline

HCID 4913253CAS 89891-65-6

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Grundinformationen

Standard-SMILES: Clc1cnc2ccc(Br)cc2n1
InChIKey: AZUMKBQKUXTHCM-UHFFFAOYSA-N
Summenformel: C8H4BrClN2
Durchschnittliche Molmasse: 243,49 g/mol
Monoisotopische Masse: 241,92464

Namen und Bezeichner

Bevorzugter Name: 7-Bromo-2-chloroquinoxaline
IUPAC: 7-bromo-2-chloroquinoxaline
Englischer Name: 7-Bromo-2-chloroquinoxaline
Summenformel: C8H4BrClN2
Molmasse: 243.49

Namen und Synonyme

7-bromo-2-chloroquinoxaline89891-65-6DTXSID00406760RefChem:310391DTXCID50357612853-902-9MFCD029553097-bromo-2-chloro-quinoxalineQUINOXALINE, 7-BROMO-2-CHLORO-2-chloro-7-bromo-quinoxalineSCHEMBL361089SCHEMBL30120440

Weitere Namen anzeigen

3-chloro-6-bromoquinoxaline

AZUMKBQKUXTHCM-UHFFFAOYSA-NSBB014165STK785174AKOS005620591AB12778CS-W019688GS-4133SY018860

Datenbank-Bezeichner

CAS: 89891-65-6
PubChem CID: 4913253
DTXSID: DTXSID00406760
EC Number: 853-902-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Siedepunkt: 312.5 · 312.5±37.0 °C(Predicted)
Dichte: 1.762 · 1.762
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.5 · -2.50±0.30(Predicted)
InChI: InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H
InChIKey: AZUMKBQKUXTHCM-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(Br)C=2)N=CC=1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 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.