Isochinolin-N-oxyd

ISOQUINOLINE 2-OXIDE · isoquinoline-oxide · Isoquinoline oxide · Isoquinoline N< · ISOQUINOLIN-N-OXIDE · ISOQUINOLINE N-OXIDE · 2-Oxylatoisoquinolinium · Isoquinoline N-oxide 98%

https://huagongshe.com/de/chemical/290378

Identifikatoren & physikalische Daten

CAS No.	1532-72-5
Summenformel	C9H7NO
Durchschnittliche Molmasse	145,16 g/mol
Monoisotopische Masse	145,05276384 g/mol
SMILES	[O-][n+]1ccc2ccccc2c1
InChIKey	RZIAABRFQASVSW-UHFFFAOYSA-N
PubChem CID	290378
ChEMBL	CHEMBL192697
ChEBI	CHEBI:185907
EC No.	216-242-7
DTXSID	DTXSID80165282
Lokaler Name	Isochinolin-N-oxyd

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	25,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	138
Schmelzpunkt	103-105 °C(lit.)
Siedepunkt	170°C 3mm
Dichte	1.1555 (rough estimate)
Brechungsindex	1.4500 (estimate)
Flammpunkt	170°C/3mm
Lagerbedingungen	Inert atmosphere,Room Temperature
pKa (Säurekonstante)	0.74±0.30(Predicted)
Aggregatzustand	powder to crystal
Farbe	Light yellow to Yellow to Orange
BRN	114345
InChI	1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey	RZIAABRFQASVSW-UHFFFAOYSA-N
SMILES	[O-][n+]1ccc2ccccc2c1
CAS Datenbank	1532-72-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Wassergefährdungsklasse (WGK)	3
Zollcode	2933499090
R-Sätze (R)	36/38
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Isoquinoline n-oxide an isoquinoline metabolite.