Benzyltriethylammoniumbromid

Benzyltriethylammonium bromide

HCID 165294CAS 5197-95-5

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Grundinformationen

Standard-SMILES: CC[N+](CC)(CC)Cc1ccccc1.[Br-]
InChIKey: CHQVQXZFZHACQQ-UHFFFAOYSA-M
Summenformel: C13H22BrN
Durchschnittliche Molmasse: 272,22 g/mol
Monoisotopische Masse: 271,0935618

Namen und Bezeichner

Bevorzugter Name: Benzyltriethylammonium bromide
IUPAC: benzyl(triethyl)azanium bromide
Lokaler Name: Benzyltriethylammoniumbromid
Englischer Name: Benzyltriethylammonium bromide
Summenformel: C13H22BrN
Molmasse: 272.22

Namen und Synonyme

Benzyltriethylammonium bromide5197-95-5EINECS 225-986-1RefChem:119010225-986-1n-benzyl-n,n-diethylethanaminium bromideBenzyl triethyl ammonium bromideBENZENEMETHANAMINIUM, N,N,N-TRIETHYL-, BROMIDEMFCD00011822benzyl(triethyl)azanium;bromideTRIETHYLBENZYLAMMONIUM BROMIDEbenzyltriethyl ammonium bromide

Weitere Namen anzeigen

BTEAB[BzE3N]BrAcetamidine Impurity18Benzyltriethylaminium·bromideBenzyltriethylazanium bromideTriethylbenzylaminium·bromideBenzyltriethylammonium bromide,99%

triethylbenzylammoniumbromidebenzyl triethylammonium bromideSCHEMBL117943triethylbenzyl ammonium bromidebenzyl-triethyl-ammonium bromidetriethyl benzyl ammonium bromideDTXSID20966295N-benzyl-triethyl-ammonium bromide

Datenbank-Bezeichner

CAS: 5197-95-5
PubChem CID: 165294
DTXSID: DTXSID20966295
EC Number: 225-986-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 135

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Physical DescriptionBeige hygroscopic powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 193 · 193-195 °C (dec.) (lit.)
Dichte: 1.2838 · 1.2838 (rough estimate)
Brechungsindex: 1.526 · 1.5260 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: Off-white
Wasserlöslichkeit: soluble
BRN: 3739113 · 3739113
InChI: 1S/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey: CHQVQXZFZHACQQ-UHFFFAOYSA-M
SMILES: [Br-].CC[N+](CC)(CC)Cc1ccccc1
CAS Datenbank: 5197 · 5197-95-5(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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Benzyltriethylammonium chloride.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 3-10
wgk: 3
ridadr: UN 2811
hs_code: 29239000
risk_code: 36/38-36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

BeschreibungBenzyltriethylammonium bromide is a versatile quaternary ammonium salt widely utilized in various chemical and industrial applications.