1-Methyl-1,10-phenanthrolin-2(1H)-one

HCID 3581387

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基本情報

CAS: 31535-89-4
標準SMILES: Cn1c(=O)ccc2ccc3cccnc3c21
InChIKey: IXAWJXFNSQYESB-UHFFFAOYSA-N
分子式: C13H10N2O
平均分子量: 210.23 g/mol
単同位体質量: 210.07931295

名称と識別子

優先名称: 1-Methyl-1,10-phenanthrolin-2(1H)-one
IUPAC: 1-methyl-1,10-phenanthrolin-2-one
英語名: 1,10-Phenanthrolin-2(1H)-one, 1-methyl-
分子式: C13H10N2O
分子量: 210.23

名称と別名

1-METHYL-1,10-PHENANTHROLIN-2(1H)-ONE31535-89-41,10-Phenanthrolin-2(1H)-one, 1-methyl-DTXSID20393860RefChem:76187DTXCID10344720651-831-6IXAWJXFNSQYESB-UHFFFAOYSA-N1-methyl-1,10-phenanthrolin-2-oneN-methylphenanthrolone1-methyl-1,2-dihydro-1,10-phenanthrolin-2-oneSCHEMBL809908

名称をさらに表示

AKOS0243222311-Methyl-1,10-phenanthroline-2(1H)-one

データベース識別子

CAS: 31535-89-4
PubChem CID: 3581387
DTXSID: DTXSID20393860
EC Number: 651-831-6
Nikkaji: J390.542J

物性

構造計算による物性

XLogP: 1.8
極性表面積: 33.2 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 16
形式電荷: 0
複雑度: 326

物理化学的性質

融点: 116 · 116-118 °C
沸点: 368.7 · 368.7±31.0 °C(Predicted)
比重(密度): 1.278 · 1.278±0.06 g/cm3(Predicted)
酸解離定数(Pka): 2.83 · 2.83±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): 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 39 reports by companies from 1 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.