アセナフテンキノン

Acenaphthenequinone

基本情報

CAS: 82-86-0
標準SMILES: O=C1C(=O)c2cccc3cccc1c23
InChIKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-N
分子式: C12H6O2
平均分子量: 182.17 g/mol
単同位体質量: 182.03677943

概要

Acenaphthoquinone is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has a role as an epitope and a chain carrier. It derives from a hydride of an acenaphthene.

名称と識別子

優先名称: Acenaphthenequinone
IUPAC: acenaphthylene-1,2-dione
現地名: アセナフテンキノン
英語名: Acenaphthenequinone
分子式: C12H6O2
分子量: 182.17

名称と別名

Acenaphthenequinone82-86-0acenaphthylene-1,2-dione1,2-ACENAPHTHYLENEDIONEAcenaphthoquinoneAcenaphthenedione1,2-AcenaphthenedioneAcenaphthaquinone1,2-AcenaphthenequinoneAcenaphthylenequinoneAcenaphthylene-1,2-quinone1,2-Diketoacenaphthene

名称をさらに表示

アセナフテンキノン1,2-アセナフチレンジオンアセナフトキノンアセナフタキノンアセナフチレン-1,2-ジオンアセナフテン1,2-ジオンアセナフテン-1,2-ジオン1,2-アセナフテンジオン1,2-ジヒドロアセナフチレン-1,2-ジオン1,8-エタノナフタレン-9,10-ジオンACQACENAPHTHEQUINONEAKOS 92207

DTXSID70494293950D6UEIQCHEBI:15342NSC-7656DTXCID6029389RefChem:411067201-441-3MFCD00003805

データベース識別子

CAS: 82-86-0
PubChem CID: 6724
DTXSID: DTXSID7049429
ChEMBL: CHEMBL395653
ChEBI: CHEBI:15342
UNII: 3950D6UEIQ
EC Number: 201-441-3
Nikkaji: J192.605E

物性

構造計算による物性

XLogP: 1.9
極性表面積: 34.1 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: 14
形式電荷: 0
複雑度: 267

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

PesticidesPesticides -> Fungicides

LogP1.95

Color/FormYELLOW NEEDLES FROM ACETIC ACID

SolubilityINSOL IN WATER; SLIGHTLY SOL IN ACETIC ACID; SLIGHTLY SOL IN ALC, HOT BENZENE; HOT PETROLEUM ETHER

Melting Point261 °C

物理化学的性質

融点: 249 · 249-252 °C (dec.) (lit.)
沸点: 67 C · 67 C
比重(密度)

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 · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationAcenaphthenequinone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Human Toxicity ExcerptsQUINONES...SHOWN TO BE RESPONSIBLE FOR BROWN DISCOLORATION OF CORNEA & EXPOSED BULBAR CONJUNCTIVA WHICH GRADUALLY DEVELOPED IN WORKERS WHO WERE EXPOSED TO VAPORS ASSOCIATED WITH MFR...OF SYNTHETIC ANILINE DYES. /QUINONES/

Non-Human Toxicity ExcerptsCONJUGATED DOUBLE BONDS IN QUINONE RINGS ARE VERY REACTIVE CHEM, ESP WITH SULFHYDRYL GROUPS. PRESUMABLY AS RESULT OF THIS REACTIVITY, QUINONES COMMONLY INHIBIT MITOTIC PROCESSES, INACTIVATE ENZYMES, & DENATURE PROTEINS. /QUINONES/

Non-Human Toxicity ValuesLD50 ALTERNARIA SOLAN: 10 PPM ON SLIDES

安全データ

化学と産業

用途と製造

Uses · 4 件

Used as fungicide; [HSDB]

Farming (Pesticides) [Category: Industry]

FUNGICIDE

DYE SYNTHESIS /QUINONES/

General Manufacturing Information1,2-Acenaphthylenedione: ACTIVE

応用分野 · 2 件

解説アセナフテンキノン,黄色の針状晶．融点261 ℃．熱ベンゼン，熱トルエンに可溶．昇華性がある．さらに酸化すればナフタル酸となり，還元すればアセナフテノンを生じる．森北出版「化学辞典（第2版）

使用Acenaphthenequinone is used in the preparation of acetylcholinesterase inhibitory agents. It is also used in the preparation of turn-on sensors for cysteine/homocysteine and its application in bioimaging. Further, it is used as an intermediate in manufacturing of dyes and pharmaceuticals. In addition to this, it is used in chemical research as a drug and therapeutic agent.

調製方法

純化方法Extract it with, then recrystallise it twice from *C6H6. Dry it in vacuo. [LeFevre et al. J Chem Soc 974 1963, Beilstein 7 IV 2498.]

上流・下流製品情報

上流原料

化合物ノート

読み込み中…

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基本情報

CAS: 82-86-0
標準SMILES: O=C1C(=O)c2cccc3cccc1c23
InChIKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-N
分子式: C12H6O2
平均分子量: 182.17 g/mol
単同位体質量: 182.03677943

概要

Acenaphthoquinone is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has a role as an epitope and a chain carrier. It derives from a hydride of an acenaphthene.