2-ブロモ-1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル)エタン-1-オン

2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

HCID 2776171

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4629-54-3
標準SMILES: O=C(CBr)c1ccc2c(c1)OCCO2
InChIKey: CSSHRKYOZTZFCX-UHFFFAOYSA-N
分子式: C10H9BrO3
平均分子量: 257.08 g/mol
単同位体質量: 255.97350625

名称と識別子

優先名称: 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
IUPAC: 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
現地名: 2-ブロモ-1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル)エタン-1-オン
英語名: 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
分子式: C10H9BrO3
分子量: 257.08

名称と別名

4629-54-32-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-oneDTXSID60379865RefChem:465850DTXCID20330891672-824-42-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoneMFCD000994022-bromo-1-(2,3-dihydrobenzo[1,4]dioxin-6-yl)ethanone2-bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl)ethanone6-(Bromoacetyl)-2,3-dihydro-1,4-benzodioxine

名称をさらに表示

2-ブロモ-1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル)エタン-1-オン2‐ブロモ‐1‐(2,3‐ジヒドロ‐1,4‐ベンゾジオキシン‐6‐イル)エタン‐1‐オン2-ブロモ-1-(2,3-ジヒドロベンゾ[1,4]-ジオキシン-6-イル)エタノン2-ブロモ-1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル)エタノン6-ブロモアセチル-1,4-ベンゾジオキサン1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル)-2-ブロモエタノンBUTTPARK 48\20-97AKOS BBS-000028826-(2-Bromoacetyl)-1,4-benzodioxane1,4-BENZODIOXAN-6-YLBROMOMETHYLKETONE1,4-benzodioxan-6-yl broMoMethyl (7CI,8CI)2-Bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl]

2-Bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl]ethanone1-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-bromoethan-1-one3,4-(ethylenedioxy)phenacyl bromide2-Bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl] ethanoneEthanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-SCHEMBL6278472-bromo-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanoneEthanone,2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-

データベース識別子

CAS: 4629-54-3
PubChem CID: 2776171
DTXSID: DTXSID60379865
EC Number: 672-824-4
Nikkaji: J1.806.743I

物性

構造計算による物性

XLogP: 1.3
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 115 °C · 115 °C
沸点: 360.6 · 360.6±42.0 °C(Predicted)
比重(密度): 1.576 · 1.576±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
CAS データベース: 4629 · 4629-54-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.