2-ブロモ-1-(2-ピリジニル)-1-エタノン臭化水素酸塩

2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide

HCID 2776231

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 17570-98-8
標準SMILES: Br.O=C(CBr)c1ccccn1
InChIKey: BYKVUGZUYJUSKD-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: 2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide
IUPAC: 2-bromo-1-pyridin-2-ylethanone;hydrobromide
現地名: 2-ブロモ-1-(2-ピリジニル)-1-エタノン臭化水素酸塩
英語名: 2-(BROMOACETYL)PYRIDINE HYDROBROMIDE
分子式: C7H7Br2NO
分子量: 280.94

名称と別名

2-bromo-1-(2-pyridinyl)-1-ethanone hydrobromideRefChem:465895642-647-72-(Bromoacetyl)pyridine hydrobromide17570-98-82-bromo-1-(pyridin-2-yl)ethanone hydrobromideMFCD021811962-(2-bromoacetyl)pyridine hydrobromide2-bromo-1-pyridin-2-ylethanone;hydrobromide2-(BROMOACETYL)PYRIDINE HBREthanone, 2-bromo-1-(2-pyridinyl)-, hydrobromide (1:1)2-BROMO-1-(PYRIDIN-2-YL)ETHAN-1-ONE HYDROBROMIDE

名称をさらに表示

2-ブロモ-1-(2-ピリジニル)-1-エタノン臭化水素酸塩2‐ブロモ‐1‐(2‐ピリジニル)‐1‐エタノン臭化水素酸塩BUTTPARK 32\08-51TIMTEC-BB SBB0055812-(Bromoacetyl)pyrdine hydrobromide2-Bromo-1-(2-pyridinyl)-1-ethanone*HBr2-(Bromoacetyl)pyridine hydrobromide ,97%Bromomethyl 2-pyridyl ketone hydrobromide

SCHEMBL10166012-bromoacetylpyridine hydrobromide2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromideAS-18166SY0079622-bromo-1-pyridin-2-yl ethanone hydrobromide2-bromo-1-pyridin-2-ylethanone;hydron;bromide2-bromo-1-(pyridin-2-yl)ethanone, hydrobromide

データベース識別子

CAS: 17570-98-8
PubChem CID: 2776231
DTXSID: DTXSID40379909
EC Number: 642-647-7

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: 127

物理化学的性質

融点: 205 °C · 205 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder
色: light brown
InChI: InChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H
InChIKey: BYKVUGZUYJUSKD-UHFFFAOYSA-N
SMILES: C1(N=CC=CC=1)C(=O)CBr.Br
CAS データベース: 17570 · 17570-98-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.