4-Fluoroisoquinoline

4-fluoroisoquinoline sulfate · 4-FLUOROISOQUINOLINE · 4-Floro isoquinoli11e · Isoquinoline, 4-fluoro- · 4-Fluoroisoquinoline 95+% · 4-Fluoroisoquinoline ISO 9001：2015 REACH

https://huagongshe.com/de/chemical/640973

Molekülstruktur von 4-Fluoroisoquinoline

Identifikatoren & physikalische Daten

CAS No.	394-67-2
Summenformel	C9H6FN
Durchschnittliche Molmasse	147,15 g/mol
Monoisotopische Masse	147,04842741 g/mol
SMILES	Fc1cncc2ccccc12
InChIKey	VFFQGPWQVYUFLV-UHFFFAOYSA-N
PubChem CID	640973
EC No.	835-605-6
DTXSID	DTXSID80348836

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	12,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	138
Schmelzpunkt	34 °C
Siedepunkt	240℃
Dichte	1.216
Brechungsindex	1.5914
Flammpunkt	99℃
Lagerbedingungen	2-8°C
Aggregatzustand	powder to lump
pKa (Säurekonstante)	3.45±0.10(Predicted)
Farbe	White to Light yellow
InChI	InChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChIKey	VFFQGPWQVYUFLV-UHFFFAOYSA-N
SMILES	C1C2=C(C=CC=C2)C(F)=CN=1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
Zollcode	2933491090