CAS 54675-23-9 6-Bromo-4-hydroxyquinolin-2(1H)-one (HCID 54689446)

基本情報

CAS: 54675-23-9
標準SMILES: O=c1cc(O)c2cc(Br)ccc2[nH]1
InChIKey: DQFPMEMMMGZBKU-UHFFFAOYSA-N
分子式: C9H6BrNO2
平均分子量: 240.05 g/mol
単同位体質量: 238.95819

名称と識別子

優先名称: 6-Bromo-4-hydroxyquinolin-2(1H)-one
IUPAC: 6-bromo-4-hydroxy-1H-quinolin-2-one
現地名: 6-ブロモ-4-ヒドロキシキノリン-2(1H)-オン
英語名: 6-broMo-4-hydroxyquinolin-2(1H)-one
分子式: C9H6BrNO2
分子量: 240.05

名称と別名

6-BROMO-4-HYDROXYQUINOLIN-2(1H)-ONE54675-23-96-Bromo-4-hydroxy-1H-quinolin-2-oneDTXSID30715837RefChem:104308DTXCID406665836-Bromo-2-hydroxyquinolin-4(1H)-one2254506-51-72(1H)-Quinolinone, 6-bromo-4-hydroxy-6-bromoquinoline-2,4-diolMFCD118475886-bromo-4-hydroxy-1,2-dihydroquinolin-2-one

名称をさらに表示

6-ブロモ-4-ヒドロキシキノリン-2(1H)-オン6-Bromo-4-Hydroxyquinolone6-Bromo-4-hydroxycarbostyril5-HYDROXYETHANESULPHONICACID6-Bromo-4-hydroxyquinolin-2(1H)6-broMo-4-hydroxy-291H)-quinolinone

6-bromo-2-hydroxy-1H-quinolin-4-one6-bromo-4-hydroxy-2(1H)-quinolinoneMFCD294723814-Hydroxy-6-brom-carbostyrilorb3022910SCHEMBL6089328SCHEMBL21979963TPL0084

データベース識別子

CAS: 54675-23-9
PubChem CID: 54689446
DTXSID: DTXSID30715837
EC Number: 889-490-2
Nikkaji: J1.571.105A

物性

構造計算による物性

XLogP: 1.4
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 264

物理化学的性質

融点: 211 · 211-212 °C
沸点: 451.3 · 451.3±45.0 °C(Predicted)
比重(密度): 1.801 · 1.801±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.5 · 4.50±1.00(Predicted)
InChI: InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
InChIKey: DQFPMEMMMGZBKU-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C(O)=CC1=O

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

危険有害性情報

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

安全データ

hs_code: 2933499090

化学と産業

応用分野

使用6-broMo-4-hydroxyquinolin-2(1H)-one can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.