6-フェニル-2-ピリドン

6-Phenyl-2-pyridone

HCID 87889CAS 19006-82-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1cccc(-c2ccccc2)[nH]1
InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N
分子式: C11H9NO
平均分子量: 171.199 g/mol
単同位体質量: 171.06841391

名称と識別子

優先名称: 6-Phenyl-2-pyridone
IUPAC: 6-Phenylpyridin-2(1H)-one
現地名: 6-フェニル-2-ピリドン
英語名: 6-PHENYL-2-PYRIDONE
分子式: C11H9NO
分子量: 171.2

名称と別名

6-フェニル-2-ピリドン6-フェニル-2(1H)-ピリドン6-フェニルピリジン-2-オール6-フェニル-2(1H)-ピリジノン6-フェニル-2-ピリドン>95%6-フェニル-2-ピリジノール6-フェニルピリジン-2(1H)-オン6-フェニル-1,2-ジヒドロピリジン-2-オンPhenylpyridoneEinecs 242-740-96-PHENYL-2-PYRIDONE

名称をさらに表示

6-phenylpyridin-2-ol6-Phenylpyridin-2(1H)6-Phenylpyridine-2-ol6-Phenyl-2-pyridone>6-phenyl-2-pyridone95+%6-Phenyl-2(1H)-pyridone6-Phenylpyridin-2(1H)-one

データベース識別子

CAS: 19006-82-7
PubChem CID: 87889
DTXSID: DTXSID40172472
ChEMBL: CHEMBL1730128
UNII: 5H7X2M5BA4
EC Number: 242-740-9
Nikkaji: J102.358F

物性

構造計算による物性

XLogP: 1.8
極性表面積: 29.1 Å²
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: 1
重原子数: 13
形式電荷: 0
複雑度: 259

物理化学的性質

融点: 197 °C · 197 °C
沸点: 417.1 · 417.1±38.0 °C(Predicted)
比重(密度): 1.158 · 1.158±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
酸解離定数(Pka): 10.82 · 10.82±0.10(Predicted)
外見: powder to crystal
色: White to Orange to Green
InChI: 1S/C11H9NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-8H,(H,12,13)
InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N
SMILES: O=C1NC(=CC=C1)c2ccccc2
CAS データベース: 19006 · 19006-82-7

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 (97.5%)；Eye Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用6-Phenylpyridin-2(1H)-one is used as a reactant in the preparation of phenylaminopyrimidinones and its derivatives as orally active nonpeptidic inhibitors of human neutrophil elastase.