2,4′-ジブロモプロピオフェノン

2,4'-Dibromopropiophenone

HCID 603907

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 38786-67-3
標準SMILES: CC(Br)C(=O)c1ccc(Br)cc1
InChIKey: GKALOSTUZMFUQB-UHFFFAOYSA-N
分子式: C9H8Br2O
平均分子量: 291.97 g/mol
単同位体質量: 289.89419

名称と識別子

優先名称: 2,4'-Dibromopropiophenone
IUPAC: 2-bromo-1-(4-bromophenyl)propan-1-one
現地名: 2,4′-ジブロモプロピオフェノン
英語名: 2,4'-Dibromopropiophenone
分子式: C9H8Br2O
分子量: 291.97

名称と別名

2,4'-Dibromopropiophenone2-Bromo-1-(4-bromophenyl)-1-propanoneRefChem:442654627-605-838786-67-32-bromo-1-(4-bromophenyl)propan-1-oneMFCD002095711-Propanone, 2-bromo-1-(4-bromophenyl)-2-Bromo-1-(4-bromo-phenyl)-propan-1-one2,4 inverted exclamation marka-Dibromopropiophenone2,4'-dibromopropiophenonSCHEMBL634337

名称をさらに表示

2,4′-ジブロモプロピオフェノン2,4′‐ジブロモプロピオフェノン2,4'-ジブロモプロピオフェノン2,4'-Dibromopropiophenone,98%2,4'-Dibromopropiophenone 98%1-Propanone,2-bromo-1-(4-bromophenyl)-JR-8701, 2,4'-Dibromopropiophenone, 97%

2-bromo-4'-bromopropiophenone2,4'-Dibromopropiophenone, 98%AKOS000210998AKOS016875353CS-W012184CS-17353SY1015602-Bromo-1-(4-bromophenyl)-1-propanone #

データベース識別子

CAS: 38786-67-3
PubChem CID: 603907
EC Number: 627-605-8
Nikkaji: J1.379.539H

物性

構造計算による物性

XLogP: 3.5
極性表面積: 17.1 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: 2
重原子数: 12
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 85 · 85-88 °C(lit.)
比重(密度): 1.746 · 1.746
貯蔵温度: Inert atmosphere,Room Temperature
外見: 結晶性粉末
色: ホワイトからライトオレンジ
InChI: 1S/C9H8Br2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKey: GKALOSTUZMFUQB-UHFFFAOYSA-N
SMILES: CC(Br)C(=O)c1ccc(Br)cc1

化学的性質

化学的特性white to light orange crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.