1-ブロモ-2-メチルナフタレン

1-Bromo-2-methylnaphthalene

HCID 75754CAS 2586-62-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc2ccccc2c1Br
InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N
分子式: C11H9Br
平均分子量: 221.09 g/mol
単同位体質量: 219.98876239

名称と識別子

優先名称: 1-Bromo-2-methylnaphthalene
IUPAC: 1-bromo-2-methylnaphthalene
現地名: 1-ブロモ-2-メチルナフタレン
英語名: 1-Bromo-2-methylnaphthalene
分子式: C11H9Br
分子量: 221.09

名称と別名

1-Bromo-2-methylnaphthalene2586-62-1DTXSID501805081-BMN cpdRefChem:75079DTXCID20102999219-966-1Naphthalene, 1-bromo-2-methyl-2-Methyl-1-bromonaphthaleneMFCD00003871.beta.-Methyl-.alpha.-bromonaphthalene1-bromo-2-methyl-naphthalene

名称をさらに表示

1-ブロモ-2-メチルナフタレン2-メチル-1-ブロモナフタレン1‐ブロモ‐2‐メチルナフタレン1-broMo-2-Methylphthalene1-Bromo-2-methylnaphtalene1-Bromo-2-methylnaphthalene >beta-Methyl-alpha-bromonaphthalene1-BroMo-2-Methylnaphthalene, GC 90%1-Bromo-2-methylnaphthalene, 90-95%

1-Bromo-2-methyl naphthaleneSCHEMBL103139NSC 36286AC-27865CS-0128760F20354J-640280Z1251333005

データベース識別子

CAS: 2586-62-1
PubChem CID: 75754
DTXSID: DTXSID50180508
EC Number: 219-966-1
Nikkaji: J192.096K

物性

構造計算による物性

XLogP: 4.2
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 155

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

沸点: 296 °C · 296 °C (lit.)
比重(密度): 1.418 g/mL · 1.418 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.648(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: 液体
色: クリアイエロー
水溶解度: 水には混和しません。
BRN: 2042531 · 2042531
InChI: InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=CC=C1C
CAS データベース: 2586 · 2586-62-1(CAS DataBase Reference)

化学的性質

化学的特性CLEAR YELLOW LIQUID

安全と法規制

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29039990
risk_code: 36/37/38-11
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用1-Bromo-2-methylnaphthalene is used as test compound in determination of halogenated hydrocarbons at trace levels by supercritical fluid chromatography-microwave-induced plasma mass spectrometry. Dynamic phosphorescence quenching of 1-bromo-2-methylnaphthalene without deoxygenation has been used for selective sensing of Cu(II) at ngm levels.

一般的な説明Dynamic phosphorescence quenching of 1-bromo-2-methylnaphthalene without deoxygenation has been used for selective sensing of Cu(II) at ngml-1 levels. It undergoes asymmetric cross-coupling reaction with its corresponding Grignard reagent using a nickel catalyst to form non-racemic 2,2′-dimethyl-1,1′-binaphthyl.