7-Fluoro-1,2,3,4-tetrahydroquinoxalin-2-one

HCID 22912909

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Basic information

CAS: 66367-11-1
Standard SMILES: O=C1CNc2ccc(F)cc2N1
InChIKey: MKVHWJQPKMVYHA-UHFFFAOYSA-N
Molecular formula: C8H7FN2O
Average molar mass: 166.15 g/mol
Monoisotopic mass: 166.05424101

Names & identifiers

Preferred name: 7-Fluoro-1,2,3,4-tetrahydroquinoxalin-2-one
IUPAC: 7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
English name: 2(1H)-Quinoxalinone, 7-fluoro-3,4-dihydro-
Molecular formula: C8H7FN2O
Molecular weight: 166.15

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 197

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications · 1 item

Uses7-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.