tetraoctylazanium bromide

• ChemBase ID: 89188
• Molecular Formular: C32H68BrN
• Molecular Mass: 546.79302
• Monoisotopic Mass: 545.45351318
• SMILES: [N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
• Canonical SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
• InChI: InChI=1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
• InChIKey: QBVXKDJEZKEASM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraoctylazanium bromide
• IUPAC Traditional name: tetraoctylazanium bromide
• Synonyms: Tetraoctyl ammonium bromide; Tetra-n-octylammonium bromide; Tetraoctylammonium bromide; Tetraoctylammonium bromide; 四正辛基溴化铵; 四辛基溴化铵

Database IDs

• CAS Number: 14866-33-2
• EC Number: 238-936-9
• MDL Number: MFCD00011863
• Beilstein Number: 4169176
• PubChem SID: 24857704; 162076071; 24889030; 24889029
• PubChem CID: 2734117
• Chemspider ID: 2015873
• Wikipedia Title: Tetraoctylammonium_bromide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.436527
• LogD (pH = 7.4): 8.436527
• Log P: 8.436527
• Molar Refractivity: 165.0121 cm^3
• Polarizability: 61.286617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 94-99°C; 95-98 °C; 95-98 °C(lit.); 96-99 °C; 98-100 °C
• Absorption Wavelength: λ: 240 nm Amax: 0.04; λ: 250 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• Storage Warning: Hygroscopic; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); ≥99.0% (AT); 98%; 98+%
• Grade: for ion pair chromatography; purum; Selectophore™
• Suitability: corresponds to standard for filter test
• λ: 10 % in methanol
• Linear Formula: [CH3(CH2)7]4N(Br)

DETAILS

Sigma Aldrich - 294136

Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 88000

Other Notes
PTC catalyst for preparing alkynes from dichlorides or chloroalkenes1

Sigma Aldrich - 87994

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

• This highly lipophilic phase-transfer catalyst (see Appendix 2) is effective even at small catalyst ratios. For example, in the presence of powdered KOH, promotes the debromination of vic-dibromides to alkynes: Tetrahedron, 37, 1653 (1981).