1,3-Dichloro-7-methoxyisoquinoline

HCID 71691537

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Grundinformationen

CAS: 24623-40-3
Standard-SMILES: COc1ccc2cc(Cl)nc(Cl)c2c1
InChIKey: SGQUBMFDFROOSK-UHFFFAOYSA-N
Summenformel: C10H7Cl2NO
Durchschnittliche Molmasse: 228,07 g/mol
Monoisotopische Masse: 226,9904692

Namen und Bezeichner

Bevorzugter Name: 1,3-Dichloro-7-methoxyisoquinoline
IUPAC: 1,3-dichloro-7-methoxyisoquinoline
Englischer Name: 1,3-Dichloro-7-methoxyisoquinoline
Summenformel: C10H7Cl2NO
Molmasse: 228.07

Namen und Synonyme

1,3-dichloro-7-methoxyisoquinoline24623-40-3RefChem:414317800-137-3MFCD204411801,3-dichloro-7-methoxy-isoquinolineSCHEMBL2155887SCHEMBL29773842SGQUBMFDFROOSK-UHFFFAOYSA-NAKOS025392236AH-0722DB-190748

Weitere Namen anzeigen

CS-0094570EN300-369242

Datenbank-Bezeichner

CAS: 24623-40-3
PubChem CID: 71691537
EC Number: 800-137-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Siedepunkt: 367.2 · 367.2±37.0 °C(Predicted)
Dichte: 1.384 · 1.384±0.06 g/cm3(Predicted)
pka: -1.31 · -1.31±0.50(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 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.