2-ブロモ-1-(4-ピリジニル)-1-エタノン臭化水素酸塩

4-(Bromoacetyl)pyridine hydrobromide

HCID 2776239CAS 5349-17-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Br.O=C(CBr)c1ccncc1
InChIKey: RGALBQILADNMKA-UHFFFAOYSA-N
分子式: C7H7Br2NO
平均分子量: 280.94 g/mol
単同位体質量: 278.88943804

名称と識別子

優先名称: 4-(Bromoacetyl)pyridine hydrobromide
IUPAC: 2-bromo-1-pyridin-4-ylethanone;hydrobromide
現地名: 2-ブロモ-1-(4-ピリジニル)-1-エタノン臭化水素酸塩
英語名: 4-(Bromoacetyl)pyridine hydrobromide
分子式: C7H6BrNO.BrH
分子量: 280.94

名称と別名

4-(Bromoacetyl)pyridine hydrobromideDTXSID90379914RefChem:515295DTXCID50330940621-664-35349-17-72-bromo-1-(pyridin-4-yl)ethanone hydrobromide2-bromo-1-(4-pyridinyl)-1-ethanone hydrobromideMFCD026818932-bromo-1-(pyridin-4-yl)ethan-1-one hydrobromide2-bromo-1-pyridin-4-ylethanone;hydrobromide2-bromo-1-(4-pyridyl)ethanone hydrobromide

名称をさらに表示

2-ブロモ-1-(4-ピリジニル)-1-エタノン臭化水素酸塩2-ブロモ-1-ピリジン-4-イルエタノン臭化水素酸塩4-(ブロモアセチル)ピリジン臭化水素酸塩臭化水素酸4-(ブロモアセチル)ピリジン4-(ブロモアセチル)ピリジン臭化水素酸塩, 98%BUTTPARK 37\12-454-( Bromoacetyl)pyridine4-BromoAcetyl Pyridine HBr4-(2-BroMo-acetyl)-pyridiniuM2-broMo-1-(pyridin-4-yl)ethanone.HBr4-(2-BROMO-ACETYL)-PYRIDINIUM, BROMIDE4-(2-Bromoacetyl)pyridine hydrobromide2-Bromo-1-(4-pyridinyl)-1-ethanone*HBr4-(Bromoacetyl)pyridinehydrobromide,98%

4-bromoacetylpyridine hydrobromidealpha-Bromo-4-acetylpyridine hydrobromide2-bromo-1-(pyridin-4-yl) ethanone hydrobromide2-bromo-1-(pyridin-4-yl)ethanone hydro bromide4-(BROMOACETYL)PYRIDINE HBRethanone, 2-bromo-1-(4-pyridinyl)-, hydrobromide4-bromoacetyl pyridin2-bromo-1-pyridin-4-ylethanone hydrobromide

データベース識別子

CAS: 5349-17-7
PubChem CID: 2776239
DTXSID: DTXSID90379914
EC Number: 621-664-3

物性

構造計算による物性

極性表面積: 30 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 121

物理化学的性質

融点: 194 °C · 194 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: powder
色: Off-white
水溶解度: 水に溶ける。
CAS データベース: 5349 · 5349-17-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (87.2%): 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 47 reports by companies from 7 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 (87.2%)

安全データ

hs_code: 2933399990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-37/39
hazard_class: 8

化学と産業

応用分野

使用Design and synthesis of potent, selective, and orally bioavailable tetrasubstituted imidazole inhibitors of p38 mitogen-activated protein kinase 4-(Bromoacetyl)pyridine hydrobromide was used to prepare 2-Phenyl-4-(4-pyridyl)imidazole.