4-ブロモベンズアルデヒドジエチルアセタール

1-Bromo-4-(diethoxymethyl)benzene

HCID 688340

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 34421-94-8
標準SMILES: CCOC(OCC)c1ccc(Br)cc1
InChIKey: BFSNEBVTOODGHZ-UHFFFAOYSA-N
分子式: C11H15BrO2
平均分子量: 259.14 g/mol
単同位体質量: 258.02554182

名称と識別子

優先名称: 1-Bromo-4-(diethoxymethyl)benzene
IUPAC: 1-bromo-4-(diethoxymethyl)benzene
現地名: 4-ブロモベンズアルデヒドジエチルアセタール
英語名: 4-Bromobenzaldehyde diethyl acetal
分子式: C11H15BrO2
分子量: 259.14

名称と別名

1-Bromo-4-(diethoxymethyl)benzeneRefChem:430585678-205-534421-94-84-Bromobenzaldehyde diethyl acetal4-BromobenzaldehydeDiethylAcetalMFCD018635144-bromobenzaldehyde diethylacetal4-bromobenzaldehydediethyl acetalAKOS005207008CS-W0101564-Bromobenzaldehyde diethyl acetal, 99%

名称をさらに表示

4-ブロモベンズアルデヒドジエチルアセタール1-ブロモ-4-(ジエトキシメチル)ベンゼン4-Bromo-,-Diethoxytoluene4-bromobenzaldehyde acetal4-bromo-à,à-diethoxytoluene4-bromobenzaldehyde dithyl acetal4-Bromo-alpha,alpha-diethoxytoluene4-Bromobenzaldehydediethylacetal,98%4-Bromobenzaldehyde Diethyl Acetal >

CS-17336D77705Benzene, 1-bromo-4-(diethoxymethyl)-1-Bromo-4-diethoxymethyl-benzeneAMY7729SCHEMBL508188DTXSID503508801-bromo-4-(diethoxymethyl) benzene

データベース識別子

CAS: 34421-94-8
PubChem CID: 688340
DTXSID: DTXSID50350880
EC Number: 678-205-5
Nikkaji: J2.056.738D

物性

構造計算による物性

XLogP: 3
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 138

物理化学的性質

沸点: 75 °C0.2 · 75 °C0.2 mm Hg(lit.)
比重(密度): 1.274 g/mL · 1.274 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.513(lit.)
闪点: 221 °F · 221 °F
貯蔵温度: 2 · Storage temp. 2-8°C
外見: 液体
色: 無色透明～淡黄色
BRN: 2448775 · 2448775
InChI: 1S/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3
InChIKey: BFSNEBVTOODGHZ-UHFFFAOYSA-N
SMILES: CCOC(OCC)c1ccc(Br)cc1
CAS データベース: 34421 · 34421-94-8(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to pale yellowish liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): 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 2 reports by companies from 2 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 (50%)

安全データ

wgk: 3
hs_code: 29110000
risk_code: 22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 24/25-37/39-26
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用4-Bromobenzaldehyde diethyl acetal is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

一般的な説明4-Bromobenzaldehyde diethyl acetal is also known as p-bromobenzaldehyde dimethyl acetal. It is employed during chemical decomposition of pladienolide D to benzylidene acetal.