3-Bromo-4-methoxybenzaldehyde (HCID 98662)

概要

3-bromo-4-methoxybenzaldehyde is a carbonyl compound.

名称と識別子

優先名称: 3-Bromo-4-methoxybenzaldehyde
IUPAC: 3-bromo-4-methoxybenzaldehyde
現地名: 3-ブロモ-p-アニスアルデヒド
英語名: 3-Bromo-4-methoxybenzaldehyde
分子式: C8H7BrO2
分子量: 215.04

名称と別名

3-Bromo-4-methoxybenzaldehyde34841-06-03-Bromo-p-anisaldehyde6RGS4ZD7JBEINECS 252-241-8NSC-158162DTXSID00188392NSC 158162RefChem:93173DTXCID30110883252-241-8QMPNFQLVIGPNEI-UHFFFAOYSA-N

名称をさらに表示

3-ブロモ-p-アニスアルデヒド3-ブロモ-4-メトキシベンズアルデヒド3-ブロモ-4-メトキシベンズアルデヒド, 98%AKOS B004285ASISCHEM N43045AKOS BBS-00003260TIMTEC-BB SBB006750OTAVA-BB BB01251601843-Bromo-p-anisaldehyde >3-BROMO-4-METHOXYBENZALDEHYDE

Benzaldehyde, 3-bromo-4-methoxy-MFCD000165993-bromo-4-methoxy-benzaldehydep-Anisaldehyde, 3-bromo-4-methoxy-3-bromobenzaldehyde3-Bromo-4-methoxybenzaldehyde; 3-Bromo-p-anisaldehyde; NSC 1581623-bromoanisaldehyde5-bromoanisaldehyde

データベース識別子

CAS: 34841-06-0
PubChem CID: 98662
DTXSID: DTXSID00188392
ChEBI: CHEBI:210858
UNII: 6RGS4ZD7JB
EC Number: 252-241-8
Nikkaji: J267.275H

物性

構造計算による物性

XLogP: 2
極性表面積: 26.3 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: 2
重原子数: 11
形式電荷: 0
複雑度: 138

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 51 · 51-54 °C (lit.)
沸点: 108 · 108-110°C 1mm
比重(密度): 1.5313 · 1.5313 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
闪点: 108 · 108-110°C/1mm
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、DMSO、酢酸エチル
外見: 個体
色: オフホワイト
BRN: 1636939 · 1636939
InChI: InChI=1S/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey: QMPNFQLVIGPNEI-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(OC)C(Br)=C1
CAS データベース: 34841 · 34841-06-0(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Bromo-4-methoxybenzaldehyde(34841-06-0)

化学的性質

化学的特性WHITE TO BEIGE SOLID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): 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 6 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 (33.3%)

安全データ

wgk: 3
hs_code: 29130000
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26
hazard_class: IRRITANT, AIR SENSITIVE
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用3-Bromo-4-methoxybenzaldehyde may be used in the following studies:Asymmetric synthesis of a novel β-hydroxy-α-amino acid derivative, via Mukaiyama aldol reaction. Synthesis of 2-(3-bromo-4-methoxyphenyl)-5-fluorobenzothiazole. Preparation of 5-[(Z)-2-(3-bromo-4-methoxyphenyl)vinyl]-1,2-3-trimethoxybenzene. Total synthesis of engelhardione. Starting reagent for the synthesis of (2E)-3-(3-bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one.

一般的な説明3-Bromo-4-methoxybenzaldehyde is formed by the solvent-free bromination of 4-methoxybenzaldehyde using 1,3-di-n-butylimidazolium tribromide, as a brominating reagent.