Benzyltributylammoniumchlorid

Benzyltributylammonium chloride

HCID 159952CAS 23616-79-7

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Grundinformationen

Standard-SMILES: CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Cl-]
InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M
Summenformel: C19H34N.Cl
Durchschnittliche Molmasse: 311,9 g/mol
Monoisotopische Masse: 311,23797777

Namen und Bezeichner

Bevorzugter Name: Benzyltributylammonium chloride
IUPAC: benzyl(tributyl)azanium chloride
Lokaler Name: Benzyltributylammoniumchlorid
Englischer Name: Benzyltributylammonium chloride
Summenformel: C19H34ClN
Molmasse: 311.93

Namen und Synonyme

Benzyltributylammonium chloride23616-79-7Benzenemethanaminium, N,N,N-tributyl-, chloride (1:1)RefChem:119008245-787-3N-Benzyl-N,N-dibutylbutan-1-aminium chlorideBenzyltri-n-butylammonium chlorideTRIBUTYLBENZYLAMMONIUM CHLORIDEbenzyl(tributyl)azanium;chlorideBenzenemethanaminium, N,N,N-tributyl-, chlorideBenzyl tributyl ammonium chlorideC19H34ClN

Weitere Namen anzeigen

BTBACAC1Q1RWQ[BzB3N]Cltributyl-(pBenzyltributylBenzyl tributyl ammMOLPORT-001-768-896VJGNLOIQCWLBJR-UHFFFAOYSA-MBenzyltributylazanium chloride

Tiamulin EP Impurity R[C1MIm]SbF6MFCD00011849benzyl tributylammonium chloridebenzyl-tributylammonium chlorideN-Benzyl-N,N-dibutylbutan-1-aminiumchloridebenzyltributyl ammonium chloridebenzyl(tributyl)azanium,chloride

Datenbank-Bezeichner

CAS: 23616-79-7
PubChem CID: 159952
DTXSID: DTXSID00885238
EC Number: 245-787-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 11
Schwere Atome: 21
Formalladung: 0
Komplexität: 196

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Physical DescriptionWhite hygroscopic crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 155 · 155-163 °C (lit.)
Siedepunkt: 466.93 °C · 466.93°C (rough estimate)
Dichte: 0.9523 · 0.9523 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: White to ivory
Wasserlöslichkeit: soluble
BRN: 3776210 · 3776210
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M
SMILES: [N+](CCCC)(CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]
CAS Datenbank: 23616 · 23616-79-7(CAS DataBase Reference)
EPA chemische Informationen: Benzenemethanaminium, N,N,N-tributyl-, chloride (23616-79-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzenemethanaminium, N,N,N-tributyl-, chloride

Benzyltributylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS] See Benzylethyldimethylammonium chloride and Benzyltrimethylammonium chloride.

Hazard Classes and CategoriesAcute Tox. 4 (98.4%)