6-Bromo-1-chloro-isoquinoline

HCID 22250244

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Grundinformationen

CAS: 205055-63-6
Standard-SMILES: Clc1nccc2cc(Br)ccc12
InChIKey: VOAHGGQULSSGQW-UHFFFAOYSA-N
Summenformel: C9H5BrClN
Durchschnittliche Molmasse: 242,5 g/mol
Monoisotopische Masse: 240,92939

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-1-chloro-isoquinoline
IUPAC: 6-bromo-1-chloroisoquinoline
Englischer Name: 6-Bromo-1-chloroisoquinoline
Summenformel: C9H5BrClN
Molmasse: 242.5

Namen und Synonyme

6-BROMO-1-CHLORO-ISOQUINOLINERefChem:540552809-114-26-Bromo-1-chloroisoquinoline205055-63-6ISOQUINOLINE, 6-BROMO-1-CHLORO-MFCD06738661SCHEMBL15362951-Chloro-6-bromoisoquinolineDTXSID50623869AKOS015851174AB27582

Weitere Namen anzeigen

SKL3226-Bromo-1-chL6-Bromo-2-chloroisoquinoline1-chloro -6-broMideisoquinoline6-Bromo-1-chloroisoquinoline ISO 9001：2015 REACH6-Bromo-1-chloroisoquinoline 1-Chloro-6-bromoisoquinoline

BCP26583SCHEMBL301113496-Bromo-1-chloroisoquinoline, 97%BBL102070STL555869AC-7723CS-W019620DS-10604

Datenbank-Bezeichner

CAS: 205055-63-6
PubChem CID: 22250244
DTXSID: DTXSID50623869
EC Number: 809-114-2
Nikkaji: J3.396.643A

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: 165

Physikochemische Eigenschaften

Siedepunkt: 349.5 · 349.5±22.0 °C(Predicted)
Dichte: 1.673 · 1.673
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1.48 · 1.48±0.38(Predicted)
Aggregatzustand: powder
Farbe: Light yellow to yellow
InChI: InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H
InChIKey: VOAHGGQULSSGQW-UHFFFAOYSA-N
SMILES: C1(Cl)C2=C(C=C(Br)C=C2)C=CN=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 43 reports by companies from 3 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.