8-Bromoquinoline (HCID 140109)

名称と識別子

優先名称: 8-Bromoquinoline
IUPAC: 8-bromoquinoline
現地名: 8-ブロモキノリン臭化物
英語名: 8-Bromoquinoline
分子式: C9H6BrN
分子量: 208.05

名称と別名

8-BromoquinolineRefChem:547864630-629-116567-18-3Quinoline, 8-bromo-8-Bromo-quinolineMFCD001918598-Bromoquinoline #8-Bromoquinoline, 98%SCHEMBL196509SCHEMBL1926970SCHEMBL6312154

名称をさらに表示

8-ブロモキノリン臭化物8-ブロモキノリン8‐ブロモキノリン8-BromoquinoL8-BROMOQUIOLINE8-BroMoquinolline8-bromooquinolineRARECHEM AK ML 01468-Bromoquinoline,98%8-Bromoquinoline,96%8-Bromoquinoline ,97%

SCHEMBL10476670SCHEMBL27167448SCHEMBL29022899DTXSID10168009SBB054586AKOS001476139AB04626AC-1231

データベース識別子

CAS: 16567-18-3
PubChem CID: 140109
DTXSID: DTXSID10168009
EC Number: 630-629-1
Nikkaji: J903.987B

物性

構造計算による物性

XLogP: 2.5
極性表面積: 12.9 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: 0
重原子数: 11
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 58 · 58-59 °C
沸点: 112 · 112-113 °C/0.5 mmHg (lit.)
比重(密度): 1.594 g/mL · 1.594 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.672(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: 融解後の液体
酸解離定数(Pka): 2.33 · 2.33±0.17(Predicted)
比重: 1.594 · 1.594
色: 澄んだ黄色から黄褐色
InChI: InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey: PIWNKSHCLTZKSZ-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2Br)C=CC=1
CAS データベース: 16567 · 16567-18-3(CAS DataBase Reference)
NISTの化学物質情報: 8 · Quinoline, 8-bromo-(16567-18-3)

化学的性質

化学的特性white to light yellow crystal powder

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 49 reports by companies from 9 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: 29334900
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
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 · 3 件

用途有機合成原料。

使用8-Bromoquinoline may be used in the following studies:Synthesis of 8-(dimesitylboryl)quinolone (ambiphilic molecule).Direct synthesis of 5H-pyrido[3,2,1-ij]quinolin-3-one, via palladium catalyzed coupling reaction with acrolein.Preparation of 8-(1-hydroxyethyl)quinolone.Preparation of 8-quinolylcyclopentadienyl metal complexes, via reaction with zincated cyclopentadienyl derivatives of Fe, Mn and Re in the presence of bis(triphenylphosphine)palladium(0).Synthesis of n,n′-biquinolines by a coupling reaction using tris(triphenylphosphine)nickel(0) and a zerovalent pyridine-nickel complex.

一般的な説明8-Bromoquinoline is a quinolone derivative. It is widely employed for the synthesis of dyes, food colors, pharmaceutical reagents, pH indicators and in various industrial processes. Its molecule bears a pyridyl group. It undergoes direct heteroarylation reaction with various heteroaromatic compounds in the presence of a palladium catalyst to afford polyheteroaromatic derivatives.