2-(1,3-Dioxan-2-yl)ethyltriphenylphosphoniumbromid

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

HCID 2724168

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 69891-92-5
Standard-SMILES: [Br-].c1ccc([P+](CCC2OCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIKey: XETDBHNHTOJWPZ-UHFFFAOYSA-M
Summenformel: C24H26BrO2P
Durchschnittliche Molmasse: 457,3 g/mol
Monoisotopische Masse: 456,0853788

Namen und Bezeichner

Bevorzugter Name: 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
IUPAC: 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium bromide
Lokaler Name: 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphoniumbromid
Englischer Name: 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
Summenformel: C24H26BrO2P
Molmasse: 457.35

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 28
Formalladung: 0
Komplexität: 371

Physikochemische Eigenschaften

Schmelzpunkt: 193 · 193-195 °C (lit.)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Wasserlöslichkeit: Soluble in water
Aggregatzustand: solid
Farbe: 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 Datenbank: 69891 · 69891-92-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
hs_code: 2931599090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-(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.