CAS 1779-51-7 Butyltriphenylphosphonium bromide (HCID 159628)

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Grundinformationen

CAS: 1779-51-7
Standard-SMILES: CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: IKWKJIWDLVYZIY-UHFFFAOYSA-M
Summenformel: C22H24P.Br
Durchschnittliche Molmasse: 399,3 g/mol
Monoisotopische Masse: 398,0798995

Namen und Bezeichner

Bevorzugter Name: Butyltriphenylphosphonium bromide
IUPAC: butyl(triphenyl)phosphanium bromide
Lokaler Name: n-Butyltriphenylphosphoniumchlorid
Englischer Name: Butyltriphenylphosphonium bromide
Summenformel: C22H24BrP
Molmasse: 399.3

Namen und Synonyme

Butyltriphenylphosphonium bromide1779-51-7N-Butyltriphenylphosphonium bromidePhosphonium, butyltriphenyl-, bromidePhosphonium, butyltriphenyl-, bromide (1:1)NSC-5968497KU95HRS8DTXSID90883581B-0970RefChem:862299DTXCID201023097217-219-4

Weitere Namen anzeigen

BTPPBBuTPPBrTriphenylbutylphosphonium bromideNSC 59684Butyltripheny(o-Boric Acid)(1-BUTYL)TRIPHENButyl triphenyl phoButyltriphenylphosph

(1-Butyl)Triphenylphosphonium Bromidebutyl(triphenyl)phosphanium;bromidebutyl(triphenyl)phosphonium bromideC22H24BrPMFCD00011855NSC59684btppbrbutyl triphenyl phosphine bromide

Datenbank-Bezeichner

CAS: 1779-51-7
PubChem CID: 159628
DTXSID

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 6
Schwere Atome: 24
Formalladung: 0
Komplexität: 273

Physikochemische Eigenschaften

Schmelzpunkt: 240 · 240-243 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Crystalline Powder
Farbe: White
Wasserlöslichkeit: soluble
BRN: 3580224 · 3580224
InChI: InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
InChIKey: IKWKJIWDLVYZIY-UHFFFAOYSA-M
SMILES: [P+](CCCC)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]
CAS Datenbank: 1779 · 1779-51-7(CAS DataBase Reference)
EPA chemische Informationen: Phosphonium, butyltriphenyl-, bromide (1779-51-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (82.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 226 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phosphonium, butyltriphenyl-, bromide

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 25-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21687

Phosphonium, butyltriphenyl-, bromide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (82.3%)