2,5-ジクロロピリジン

2,5-Dichloropyridine

HCID 27685CAS 16110-09-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1ccc(Cl)nc1
InChIKey: GCTFDMFLLBCLPF-UHFFFAOYSA-N
分子式: C5H3Cl2N
平均分子量: 147.99 g/mol
単同位体質量: 146.96425446

名称と識別子

優先名称: 2,5-Dichloropyridine
IUPAC: 2,5-dichloropyridine
現地名: 2,5-ジクロロピリジン
英語名: 2,5-Dichloropyridine
分子式: C5H3Cl2N
分子量: 147.99

名称と別名

2,5-DICHLOROPYRIDINE16110-09-1Pyridine, 2,5-dichloro-CCRIS 1718NSC 528661EINECS 240-278-2BRN 0108886DTXSID7051765FZ623S5E22NSC-528661RefChem:444347DTXCID0030320

名称をさらに表示

2,5-ジクロロピリジン2，5ジクロロピリジン2,5‐ジクロロピリジン2,5-ジクロロピリジン, 98%Dichloropyridine4-Aminophenylacetamide2,5- twochlorine pyridine5-Dichloropyridine2,5-Chloro pyridine2,5-DICHLORPYRIDINE2,5-dichloro-pyridin2,5-Dichiloropyridine2,5-Dichloropyridine97%

240-278-2MFCD000062392,5-Dichloro-pyridine2,5 Dichloropyridine2,5 -dichloropyridine2-chloro-5-chloropyridineWLN: T6NJ BG EG2,5-Dichloropyridine, 98%

データベース識別子

CAS: 16110-09-1
PubChem CID: 27685
DTXSID: DTXSID7051765
UNII: FZ623S5E22
EC Number: 240-278-2
Nikkaji: J32.651H

物性

構造計算による物性

XLogP: 2.4
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: 8
形式電荷: 0
複雑度: 76.8

物理化学的性質

融点: 59 · 59-62 °C (lit.)
沸点: 190 · 190-191 °C
比重(密度): 1.5159 · 1.5159 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
闪点: 112 °C · 112 °C
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): -2.25 · -2.25±0.10(Predicted)
外見: 結晶性固体
色: 白色～やや黄色
水溶解度: 不溶性
BRN: 108886 · 108886
InChI: InChI=1S/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey: GCTFDMFLLBCLPF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Cl)C=C1
CAS データベース: 16110 · 16110-09-1(CAS DataBase Reference)

化学的性質

化学的特性white to slightly yellow crystalline solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (34.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 8 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 CategoriesAcute Tox. 4 (34.9%)

安全データ

wgk: 3
rtecs: US8225000
ridadr: UN2811
hs_code: 29333990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-37/39-36
hazard_class: 6.1
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

応用分野 · 2 件

使用2,5-Dichloropyridine was used in the synthesis of 6-halo-pyridin-3-yl boronic acids and esters. It undergoes cross-coupling reaction with arylboronic acids in the presence of [1,4-bis-(diphenylphosphine)butane]palladium (II) dichloride as catalyst.

一般的な説明2,5-Dichloropyridine undergoes cross-coupling reaction with arylboronic acids in the presence of [1,4-bis-(diphenylphosphine)butane]palladium (II) dichloride as catalyst.

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