benzyltributylazanium chloride

• ChemBase ID: 89691
• Molecular Formular: C19H34ClN
• Molecular Mass: 311.93296
• Monoisotopic Mass: 311.23797777
• SMILES: [Cl-].[N+](CCCC)(Cc1ccccc1)(CCCC)CCCC
• Canonical SMILES: CCCC[N+](Cc1ccccc1)(CCCC)CCCC.[Cl-]
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyltributylazanium chloride
• IUPAC Traditional name: benzyltributylazanium chloride
• Synonyms: Benzyltri-n-butylammonium chloride; Benzyltributylammonium chloride; Benzyltri-n-butylammonium chloride 98%; N-Benzyl-N,N-dibutylbutan-1-aMiniuM chloride; 苄基三正丁基氯化铵; 苄基三丁基氯化铵

Database IDs

• CAS Number: 23616-79-7
• EC Number: 245-787-3
• MDL Number: MFCD00011849
• Beilstein Number: 3776210
• PubChem SID: 162076554; 24851613
• PubChem CID: 159952

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.724003
• LogD (pH = 7.4): 1.724003
• Log P: 1.724003
• Molar Refractivity: 102.1351 cm^3
• Polarizability: 35.826702 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-163 °C; 155-163 °C(lit.); 155-163°C; 156-162°C

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34; 22-41
• Safety Statements: 26-36/37/39-45; 26-36/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H318; H302-H314
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P321-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 2

Product Information

• Purity: ≥98%; ≥98.0% (AT); 98%
• Grade: purum
• Impurities: ≤0.5% water
• Linear Formula: C6H5CH2N(Cl)(CH2CH2CH2CH3)3

DETAILS

Sigma Aldrich - 193771

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 13952

Other Notes
Phase-transfer-catalyst1