Tetrabutylammonium Benzoate

HCID 10981353

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Grundinformationen

CAS: 18819-89-1
Standard-SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O=C([O-])c1ccccc1
InChIKey: WGYONVRJGWHMKV-UHFFFAOYSA-M
Summenformel: C23H41NO2
Durchschnittliche Molmasse: 363,6 g/mol
Monoisotopische Masse: 363,31372955

Namen und Bezeichner

Bevorzugter Name: Tetrabutylammonium Benzoate
IUPAC: tetrabutylazanium benzoate
Englischer Name: Tetrabutylammonium benzoate
Summenformel: C23H41NO2
Molmasse: 363.58

Namen und Synonyme

Tetrabutylammonium benzoate18819-89-1DTXSID60450663RefChem:188405DTXCID10401483629-010-9tetrabutylammoniumbenzoatetetrabutylazanium;benzoate1-Butanaminium, N,N,N-tributyl-, benzoate (1:1)MFCD001717011-Butanaminium, N,N,N-tributyl-, benzoatetetrabutylammonium;benzoate

Weitere Namen anzeigen

etrabutylazanium,benzoateTetrabutylammomium benzoatetetrabutylammonium benzoate,electro-chemical gradeTetrabutylammonium benzoate puriss., electrochemical grade, >=99.0% (NT)

SCHEMBL108878CHEMBL1079159TAA81989AKOS022173567N,N,N-Tributylbutan-1-aminium benzoateAS-49429DB-044667CS-0187687

Datenbank-Bezeichner

CAS: 18819-89-1
PubChem CID: 10981353
DTXSID: DTXSID60450663
ChEMBL: CHEMBL1079159
EC Number: 629-010-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 12
Schwere Atome: 26
Formalladung: 0
Komplexität: 214

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-67 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 0.1 g/mL, · acetonitrile: 0.1 g/mL, clear, colorless
Aggregatzustand: crystals
BRN: 4070140 · 4070140
InChI: 1S/C16H36N.C7H6O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)6-4-2-1-3-5-6/h5-16H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1
InChIKey: WGYONVRJGWHMKV-UHFFFAOYSA-M
SMILES: [O-]C(=O)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.