4-ヒドロキシ-1-メチル-3-[(3-ニトロフェニル)アゾ]-2(1H)-キノリノン

4-Hydroxy-1-methyl-3-((3-nitrophenyl)azo)-2-quinolone

HCID 135548088CAS 6439-53-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1c(=O)c(N=Nc2cccc([N+](=O)[O-])c2)c(O)c2ccccc21
InChIKey: XXSLVBDPACXUDO-UHFFFAOYSA-N
分子式: C16H12N4O4
平均分子量: 324.29 g/mol
単同位体質量: 324.08585486

名称と識別子

優先名称: 4-Hydroxy-1-methyl-3-((3-nitrophenyl)azo)-2-quinolone
IUPAC: 4-hydroxy-1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
現地名: 4-ヒドロキシ-1-メチル-3-[(3-ニトロフェニル)アゾ]-2(1H)-キノリノン
英語名: 4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone
分子式: C16H12N4O4
分子量: 324.29

名称と別名

2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[2-(3-nitrophenyl)diazenyl]-4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-((3-nitrophenyl)azo)-2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-(2-(3-nitrophenyl)diazenyl)-4-Hydroxy-1-methyl-3-[2-(3-nitrophenyl)diazenyl]-2(1H)-quinolinone4-Hydroxy-1-methyl-3-((3-nitrophenyl)azo)-2-quinolone4-Hydroxy-1-methyl-3-(2-(3-nitrophenyl)diazenyl)-2(1H)-quinolinoneRefChem:523704229-219-1DISPERSE YELLOW 56439-53-8

名称をさらに表示

C.I.ディスパースイエロー54-ヒドロキシ-1-メチル-3-[(3-ニトロフェニル)アゾ]-2(1H)-キノリノン4-ヒドロキシ-1-メチル-3-[2-(3-ニトロフェニル)ジアゼン-1-イル]-1,2-ジヒドロキノリン-2-オンC.I.Disperse Yellow 5C.I.12790Yellow 5GNavilene Yellow 5GHighlene Yellow 5GSynten Yellow P-5G.Chemilene Yellow 5GSSumikaron Yellow SE-5GMiketon Polyester Yellow 5G

C.I. Disperse Yellow 5C.I. 12790(3Z)-1-methyl-3-[(3-nitrophenyl)hydrazinylidene]quinoline-2,4-dione4-hydroxy-1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one4-Hydroxy-1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2(1H)-oneEINECS 229-219-1VL4ZW4V6EYSCHEMBL2859536

データベース識別子

CAS: 6439-53-8
PubChem CID: 135548088
DTXSID: DTXSID3064358
UNII: VL4ZW4V6EY
EC Number: 229-219-1
Nikkaji: J34.030H

物性

構造計算による物性

XLogP: 2.7
極性表面積: 111 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 24
形式電荷: 0
複雑度: 583

物理化学的性質

沸点: 480.7 · 480.7±45.0 °C(Predicted)
比重(密度): 1.44 · 1.44±0.1 g/cm3(Predicted)
酸解離定数(Pka): 4.5 · 4.50±1.00(Predicted)
EPAの化学物質情報: 2 · 2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]- (6439-53-8)

安全と法規制

GHS分類

GHS Classification · 3 件

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: 2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[2-(3-nitrophenyl)diazenyl]-: ACTIVE

調製方法

製造方法M-nitroaniline diazo, and 4-Hydroxy-1-methylquinolin-2(1H)-onecoupling

上流・下流製品情報

上流原料

2-キノリノール 3-ニトロアニリンアントラニル酸

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