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HCID 44512896Erstellt: 27. Oktober 2026

2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile

2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile · Benzonitrile, 2-fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-

https://huagongshe.com/de/chemical/44512896

Molekülstruktur von 2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile

Identifikatoren & physikalische Daten

CAS No.1029714-87-1
SummenformelC22H13FN6
Durchschnittliche Molmasse380,4 g/mol
Monoisotopische Masse380,1185726 g/mol
SMILESN#Cc1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIKeyDCHLMGJQDKHZLO-UHFFFAOYSA-N
PubChem CID44512896
EC No.812-406-2
DTXSIDDTXSID001035662

Chemische & physikalische Eigenschaften

XLogP3,4
Polarare Oberfläche (TPSA)79,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren6
Frei drehbare Bindungen3
Schwere Atome29
Formalladung0
Komplexität622
Dampfdruck0.002-0.007Pa at 20-25℃
LogP (Verteilungskoeffizient)2.9 at 20℃ and pH7

Sicherheit & Vorschriften

GHS-EinstufungWarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.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.
Regulatorische InformationenStatus: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34497
Hazard Classes and CategoriesSkin Sens. 1A (100%)