2-(1,3-ジオキサン-2-イル)エチルトリフェニルホスホニウムブロミド

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

HCID 2724168CAS 69891-92-5

部分構造検索類似構造を探す

基本情報

標準SMILES: [Br-].c1ccc([P+](CCC2OCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIKey: XETDBHNHTOJWPZ-UHFFFAOYSA-M
分子式: C24H26BrO2P
平均分子量: 457.3 g/mol
単同位体質量: 456.0853788

名称と識別子

優先名称: 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
IUPAC: 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium bromide
現地名: 2-(1,3-ジオキサン-2-イル)エチルトリフェニルホスホニウムブロミド
英語名: 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
分子式: C24H26BrO2P
分子量: 457.35

名称と別名

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromideEINECS 274-189-5RefChem:450414274-189-569891-92-5(2-(1,3-Dioxan-2-yl)ethyl)triphenylphosphonium bromide[2-(1,3-DIOXAN-2-YL)ETHYL]TRIPHENYLPHOSPHONIUM BROMIDEMFCD000120002-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium;bromideSCHEMBL667642DTXSID60990170XQAUPNAYCIKWCT-UHFFFAOYSA-M

名称をさらに表示

2-(1,3-ジオキサン-2-イル)エチルトリフェニルホスホニウムブロミド2-(1,3-ジオキサン-2-イル)エチルトリフェニルホスホニウムブロミド臭化[2-(1,3-ジオキサン-2-イル)エチル]トリフェニルホスホニウム臭化物［２（１，３ジオキサン２イル）エチル］トリフェニルホスホニウム＝ブロミド[2-(1,3-ジオキサン-2-イル)エチル]トリフェニルホスホニウムブロミド2-(1,3-ジオキサン-2-イル)エチルトリフェニルホスホニウム・ブロミド[2-(1,3-ジオキサン-2-イル)エチル]トリフェニルホスホニウム=ブロミド[2-(1,3-ジオキサン-2-イル)エチル]トリフェニルホスホニウム・ブロミドWittig reagentLABOTEST-BB LT00233223DIOXANETHYLTRIPHENYLPHOSPHONIUMBROMIDE2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium2-(1,3-Dioxan-2-yl)ethyltriphenylphosphanium bromide2-(1,3)-DIOXANE-2-YL）ETHYLTRIPHENYLPHOSPHONIUM BROMIDE2-(1,3-Dioxan-2-yl)Ethylütriphenylphosphonium bromide2-(1,3-Dioxan-2-yl)ethyltriphenylphosphoniumBromide>Phosphonium, [2-(1,3-dioxan-2-yl)ethyl]triphenyl-, bromide

MSK168129AKOS015833066CS-W009647SY060198D1655NS00063129ST504087561,3-dioxan-2-ylethyltriphenylphosphinebromide

データベース識別子

CAS: 69891-92-5
PubChem CID: 2724168
DTXSID: DTXSID60990170
EC Number: 274-189-5

物性

構造計算による物性

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: 3
回転可能結合数: 6
重原子数: 28
形式電荷: 0
複雑度: 371

物理化学的性質

融点: 193 · 193-195 °C (lit.)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
水溶解度: Soluble in water
外見: 個体
色: White to Light yellow
BRN: 4117571 · 4117571
InChI: InChI=1S/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1
InChIKey: XETDBHNHTOJWPZ-UHFFFAOYSA-M
SMILES: [P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CCC1OCCCO1.[Br-]
CAS データベース: 69891 · 69891-92-5(CAS DataBase Reference)

化学的性質

化学的特性white to light brown powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)

安全データ

F: 10-21
wgk: 3
hs_code: 2931599090
risk_code: 36/37/38
化審法: (5)-6416
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成試薬。

使用2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide can be used:As a three-carbon homologating agent used to prepare α,β- or β,γ- unsaturated compounds.In the olefination of methyl 5-oxopentanoate to yield methyl 7-(1,3-dioxan2-yl)hept-(5Z)-enoate.As a cathode interfacial layer material in polymer solar cells.