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

基本情報

CAS: 66367-11-1
標準SMILES: O=C1CNc2ccc(F)cc2N1
InChIKey: MKVHWJQPKMVYHA-UHFFFAOYSA-N
分子式: C8H7FN2O
平均分子量: 166.15 g/mol
単同位体質量: 166.05424101

名称と識別子

優先名称: 7-Fluoro-1,2,3,4-tetrahydroquinoxalin-2-one
IUPAC: 7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
英語名: 2(1H)-Quinoxalinone, 7-fluoro-3,4-dihydro-
分子式: C8H7FN2O
分子量: 166.15

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1
極性表面積: 41.1 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 197

物理化学的性質

貯蔵温度: 2 · 2-8°C, protect from light

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用7-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.