2-Hydroxyquinoline
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基本情報
- CAS
104534-80-7- 標準SMILES
O=c1ccc2ccccc2[nH]1- InChIKey
LISFMEBWQUVKPJ-UHFFFAOYSA-N- 分子式
- C9H7NO
- 平均分子量
- 145.16 g/mol
- 単同位体質量
- 145.05276384
概要
Quinolin-2-ol is a monohydroxyquinoline carrying a hydroxy substituent at position 2. It is an intermediate metabolite produced duting the microbial degradation of quinoline. It has a role as a bacterial xenobiotic metabolite. It is a tautomer of a quinolin-2(1H)-one.
名称と識別子
- 優先名称
- 2-Hydroxyquinoline
- IUPAC
- 1H-quinolin-2-one
- 英語名
- 2-Hydroxyquinoline
- 分子式
- C9H7NO
- 分子量
- 145.15798
名称と別名
2-Hydroxyquinoline59-31-4CarbostyrilQuinolin-2(1H)-one2(1H)-Quinolinone2-Quinolone1H-quinolin-2-oneo-Aminocinnamic acid lactamalpha-Quinolone2-Quinolinone2(1H)-Quinolone803BHY7QWU
名称をさらに表示
DTXSID1058769NSC-156783CHEBI:18289RefChem:389257DTXCID7042510200-420-62-QuinolinolQuinolin-2-ol
データベース識別子
- CAS
104534-80-7、1321-40-0、59-31-4、70254-42-1- PubChem CID
- 6038
- DTXSID
DTXSID1058769- ChEMBL
CHEMBL186422- ChEBI
CHEBI:16365- UNII
- 803BHY7QWU
- EC Number
- 200-420-6、274-516-1
- Nikkaji
- J4.598E
物性
構造計算による物性補完中
- XLogP
- 1.3
- 極性表面積
- 29.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 198
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Quinolines
DrugsPharmaceuticals -> Listed in ZINC15
LogP1.32
Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 75 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: 2-Quinolinol
2(1H)-Quinolinone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Quinolinol: Human health tier I assessment
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Quinoline.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (92%)
毒性情報
Adverse Effects
The most common reported adverse effects of quinolones include gastrointestinal events such as nausea, vomiting, and diarrhea. Antibiotic-associated colitis is a common sequela of quinolone use due to its effect on the gut flora. The use of quinolones may result in higher rates of clostridium difficile infection compared to other antibiotics. Arthralgias are also a common adverse effect, especially in the pediatric population, and self-resolve after discontinuing therapy. Some patients may also experience serious anaphylactic and skin reactions, ranging from a minor rash and/or photosensitivity to Stevens-Johnson syndrome or toxic epidermal necrolysis.
化学と産業
用途と製造
General Manufacturing Information2(1H)-Quinolinone: INACTIVE
関連反応
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化合物ノート
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