Pentyltriphenylphosphoniumbromid

Pentyltriphenylphosphonium bromide

HCID 2724565CAS 21406-61-1

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Grundinformationen

Standard-SMILES: CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: VAUKWMSXUKODHR-UHFFFAOYSA-M
Summenformel: C23H26BrP
Durchschnittliche Molmasse: 413,3 g/mol
Monoisotopische Masse: 412,09554956

Namen und Bezeichner

Bevorzugter Name: Pentyltriphenylphosphonium bromide
IUPAC: pentyl(triphenyl)phosphanium bromide
Lokaler Name: Pentyltriphenylphosphoniumbromid
Englischer Name: PENTYLTRIPHENYLPHOSPHONIUM BROMIDE
Summenformel: C23H26P.Br
Molmasse: 413.33

Namen und Synonyme

Pentyltriphenylphosphonium bromideEINECS 244-374-5RefChem:860105244-374-521406-61-1Amyltriphenylphosphonium bromideTriphenyl-n-amylphosphonium bromideBromo(pentyl)triphenylphosphoranepentyl(triphenyl)phosphanium bromidepentyl(triphenyl)phosphanium;bromideMFCD00031630Phosphonium, pentyltriphenyl-, bromide

Weitere Namen anzeigen

TPL(1-PentyLPENTYLTRIPHENYHPhosphoniuM,pentyltriphenyl-PENTYLTRIPHENYHLPHOSPHONIUM BROMIDEN-AMYL TRIPHENYLPHOSPHONIUM BROMIDE

PentyltriphenylphosphoniumbromideCS-W011669(n-pentyl) triphenyl phosphonium bromideEN300-152668pentyltriphenylphosphanium bromideAmyltriphenylphosphonium Bromide; Pentyltriphenylphosphonium Bromide(1-PENTYL)TRIPHENYLPHOSPHONIUM BROMIDEFT-0622382

Datenbank-Bezeichner

CAS: 21406-61-1
PubChem CID: 2724565
DTXSID: DTXSID40943967
UNII: EM6W37QZ67
EC Number: 244-374-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 7
Schwere Atome: 25
Formalladung: 0
Komplexität: 286

Physikochemische Eigenschaften

Schmelzpunkt: 165 · 165-168 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
Farbe: White to Almost white
Wasserlöslichkeit: Partly miscible in water. Soluble in methanol and chloroform.
BRN: 3580453 · 3580453
InChI: InChI=1S/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1
InChIKey: VAUKWMSXUKODHR-UHFFFAOYSA-M
SMILES: [P+](CCCCC)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]
CAS Datenbank: 21406 · 21406-61-1(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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.