2-Methoxy-1,4-Naphthoquinone (HCID 16871)

名称と識別子

優先名称: 2-Methoxy-1,4-Naphthoquinone
IUPAC: 2-methoxynaphthalene-1,4-dione
現地名: 2-メトキシナフタレン-1,4-ジオン
英語名: 2-METHOXY-1,4-NAPHTHOQUINONE
分子式: C11H8O3
分子量: 188.18

名称と別名

2-Methoxy-1,4-naphthoquinone2348-82-52-methoxynaphthalene-1,4-dionelawsone methyl ether1,4-Naphthalenedione, 2-methoxy-2-Methoxynaphthoquinone2-Methoxy-p-naphthoquinone1,4-NAPHTHOQUINONE, 2-METHOXY-DTXSID106233839020BUT1DNSC-31530CHEBI:69522

名称をさらに表示

2-メトキシ-1,4-ナフタレンジオン2-メトキシナフタレン-1,4-ジオン2-メトキシ-1,4-ナフトキノンラウソンメチルエーテル2メトキシ1，4ナフトキノンLawsone Impurity 32-methoxy-4-naphthoquinone2-Methoxy-1,4-naphtoquinone2-methoxy-4-naphthalenedione

RefChem:474125DTXCID70368782-methoxy-1,4-dihydronaphthalene-1,4-dioneMFCD000195392-methoxy-1,4-napthoquinoneCHEMBL1065622-Methoxy-1,4-naphthalenedioneNSC 31530

データベース識別子

CAS: 2348-82-5
PubChem CID: 16871
DTXSID: DTXSID1062338
ChEMBL: CHEMBL106562
ChEBI: CHEBI:69522
UNII: 39020BUT1D
EC Number: 627-454-8
Nikkaji: J40.498E

物性

構造計算による物性

XLogP: 1.4
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 304

物理化学的性質

融点: 184 · 184-187 °C(lit.)
沸点: 283.17 °C · 283.17°C (rough estimate)
比重(密度): 1.21 · 1.2100 (rough estimate)
屈折率: 1.64 · 1.6400 (estimate)
貯蔵温度: -20 °C · Store at -20°C
溶解性: 50 mg/mL · DMSO : 50 mg/mL (265.70 mM; Need ultrasonic)
外見: Solid
色: Light yellow to yellow
水溶解度: 31.23 mg/L · 31.23mg/L(温度記載なし)
InChI: 1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChIKey: OBGBGHKYJAOXRR-UHFFFAOYSA-N
SMILES: COC1=CC(=O)c2ccccc2C1=O
EPAの化学物質情報: 2 · 2-Methoxy-1,4-naphthoquinone (2348-82-5)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 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

Regulatory Information · 2 件

Chemical: 1,4-Naphthalenedione, 2-methoxy-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

法規制情報

Regulatory Information · 2 件

Chemical: 1,4-Naphthalenedione, 2-methoxy-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: QL8960000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1,4-Naphthalenedione, 2-methoxy-: INACTIVE

応用分野

使用2-Methoxy-1,4-naphthoquinone was used in the preparation of 2-(4-X-phenylene)amine-1,4-naphthoquinones (X= ferrocenyl, OMe, Me, I, Cl and NO2).

一般的な説明2-Methoxy-1,4-naphthoquinone is a potential candidate for Helicobacter pylori infection related disease therapy. It is isolated from the leaves of Impatiens glandulifera.

サプライヤー48 社

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

云南西力生物技术股份有限公司0871-65217109 · [email protected]

補足説明

定義ChEBI: A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.