CAS 66367-11-1 7-Fluoro-1,2,3,4-tetrahydroquinoxalin-2-one (HCID 22912909)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 66367-11-1
Standard-SMILES: O=C1CNc2ccc(F)cc2N1
InChIKey: MKVHWJQPKMVYHA-UHFFFAOYSA-N
Summenformel: C8H7FN2O
Durchschnittliche Molmasse: 166,15 g/mol
Monoisotopische Masse: 166,05424101

Namen und Bezeichner

Bevorzugter Name: 7-Fluoro-1,2,3,4-tetrahydroquinoxalin-2-one
IUPAC: 7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
Englischer Name: 2(1H)-Quinoxalinone, 7-fluoro-3,4-dihydro-
Summenformel: C8H7FN2O
Molmasse: 166.15

Namen und Synonyme

66367-11-17-fluoro-1,2,3,4-tetrahydroquinoxalin-2-oneRefChem:546369855-545-47-Fluoro-3,4-dihydroquinoxalin-2(1H)-one2(1H)-Quinoxalinone, 7-fluoro-3,4-dihydro-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one7-Fluoro-3,4-dihydro-2(1H)-quinoxalinoneMFCD17215461SCHEMBL620322SCHEMBL30509187MKVHWJQPKMVYHA-UHFFFAOYSA-N

Weitere Namen anzeigen

RCA36711AKOS022713343AS-67892SY3845697-Fluoro-34-dihydroquinoxalin-2(1H)-oneCS-0135526EN300-45578A12734

Datenbank-Bezeichner

CAS: 66367-11-1
PubChem CID: 22912909
EC Number: 855-545-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 197

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C, protect from light

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden7-Fluoro-3,4-dihydro-2(1H)-quinoxalinone a useful synthetic reagent and an impurity of 7-Fluoroquinoxalin-2(1H)-one (F596705), which is used in the development and optimization of novel bacterial topoisomerase type II inhibitors which show potential for use in development of antimicrobial agents against drug resistant pseudomonas aeruginosa.