1-Methoxynaphthalene (HCID 16668)

名称と識別子

優先名称: 1-Methoxynaphthalene
IUPAC: 1-methoxynaphthalene
現地名: 1-メトキシナフタレン
英語名: 1-Methoxynaphthalene
分子式: C11H10O
分子量: 158.2

名称と別名

1-METHOXYNAPHTHALENE2216-69-5Naphthalene, 1-methoxy-Methyl 1-naphthyl etheralpha-Methoxynaphthalenealpha-Naphthyl methyl etherDG2EOL57LFNSC-5530DTXSID5062263RefChem:76180DTXCID6036625218-696-1

名称をさらに表示

1-メトキシナフタレン4-メトキシナフタレンメチル-1-ナフチルエーテルα-メトキシナフタレンメチルα-ナフチルエーテル１メトキシナフタレンメチル1-ナフチルエーテルメチル(1-ナフチル)エーテル1-Methoxynaphtalene1-Methoxynapthalene1-Methoxy1-MethoxyphthaleneI-Methoxynaphthalin1-methoxy-naphthalen1-METHOXYNAPHTHYLENEa-Methoxynaphthalene1-Methoxylnaphthalene

Methoxynaphthalene.alpha.-MethoxynaphthaleneMFCD00003924.alpha.-Naphthyl methyl ether1-Naphthol methyl ether1-Naphthyl methyl ether57982-68-0Nabumetone Impurity 28

データベース識別子

CAS: 2216-69-5
PubChem CID: 16668
DTXSID: DTXSID5062263
UNII: DG2EOL57LF
EC Number: 218-696-1
Nikkaji: J7.365B

物性

構造計算による物性

XLogP: 3.6
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 144

実験および物理化学的性質

Kovats Retention Index · 3 件

1403

1434

2135；2143

物理化学的性質

融点: 5 °C · 5 °C
沸点: 135 · 135-137 °C/12 mmHg (lit.)
比重(密度): 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.621(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム、メタノール
外見: 油
色: 無色透明～黄色
比重: 1.1 · 1.1
水溶解度: 混和しない
BRN: 7748884 · 7748884
InChI: 1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKey: NQMUGNMMFTYOHK-UHFFFAOYSA-N
SMILES: COc1cccc2ccccc12
LogP: 3.45 · 3.450
CAS データベース: 2216 · 2216-69-5(CAS DataBase Reference)
NISTの化学物質情報: 1 · Naphthalene, 1-methoxy-(2216-69-5)
EPAの化学物質情報: 1 · Naphthalene, 1-methoxy- (2216-69-5)

化学的性質

化学的特性1-Methoxynaphthalene is an isomer of methoxynaphthalene. It is clear light yellow to brown liquid that aroma is not as good as 2-methoxynaphthalene. Insoluble in water, soluble in ethanol, ether, benzene and chloroform.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

H411 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.；There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).；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

Regulatory Information · 4 件

Chemical: Naphthalene, 1-methoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479

Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Chronic 2 (20%)

法規制情報

Regulatory Information · 4 件

Chemical: Naphthalene, 1-methoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479

Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
rtecs: QJ9465500
ridadr: UN 3082 9/PG III
hs_code: 29093090
化審法: (4)-361
消防法: 危-4-3-III
safety_code: 23-24/25
hazard_class: 9
packing_group: III
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationNaphthalene, 1-methoxy-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用1-Methoxynaphthalene is used in the study of peroxygenase activity of cytochrome c peroxidase. It is used as a precursor to synthesize prenyl naphthalene-ols, which shows antioxidative activity. It is also used in organic synthesis, pesticides, perfumes for making soaps, and film developers.

一般的な説明1-Methoxynaphthalene, a methoxyphenolic compound, is a naphthalene derivative that finds application as a precursor for the preparation of pharmaceutical drugs, and also as a therapeutic agent.

調製方法 · 2 件

製造方法1-Methoxynaphthalene can be obtained by methylating 1-naphthol, and the methylating reagent can be selected from methyl trifluoroacetate, dimethyl carbonate and dimethyl sulfate.

純化方法Steam distil the ether from alkaline solution. The distillate is extracted with Et2O. After drying (MgSO4) the extract and evaporating Et2O, the methyl naphthyl ether is then fractionated under reduced pressure from CaH2. The picrate has m 129.5-130.5o (from EtOH). [Beilstein 6 IV 4211.]

上流・下流製品情報

下流製品

4-メトキシ-1-ニトロナフタレン (4-メトキシ-1-ナフチル)ボロン酸 2-ブロモ-1-メトキシナフタレン 4-メトキシ-1-ナフトール 1-ブロモ-4-メトキシナフタレン 4-メトキシ-1-ナフトアルデヒド 4-メトキシ-1-ナフトエ酸 2,3-Dihydro-1,4-naphthoquinone 2-bromo-1-(4-methoxynaphthalen-1-yl)ethanone

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

1-メトキシナフタレン

基本情報