tetrahexylazanium hydrogen sulfate

• ChemBase ID: 151640
• Molecular Formular: C24H53NO4S
• Molecular Mass: 451.74692
• Monoisotopic Mass: 451.36953018
• SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.OS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)O.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: RULHPTADXJPDSN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrahexylazanium hydrogen sulfate
• IUPAC Traditional name: tetrahexylazanium hydrogensulfate
• Synonyms: Tetra-n-hexylammonium hydrogen sulfate; Tetrahexylammonium hydrogensulfate; 四正己基硫酸氢胺; 四己基硫酸氢铵

Database IDs

• CAS Number: 32503-34-7
• EC Number: 251-069-0
• MDL Number: MFCD00037675
• Beilstein Number: 4629729
• PubChem SID: 24888879; 24862999; 162245790; 24888876
• PubChem CID: 11015848

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.879978
• LogD (pH = 7.4): 4.879978
• Log P: 4.879978
• Molar Refractivity: 128.2041 cm^3
• Polarizability: 46.510445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 96-102°C; 98-100 °C(lit.); 99-102 °C
• Absorption Wavelength: λ: 210 nm Amax: 0.10; λ: 220 nm Amax: 0.04; λ: 230 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

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

Product Information

• Purity: ≥98.0% (T); ≥99.0% (T); 98%
• Grade: for ion pair chromatography
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• λ: 10 % in acetonitrile
• Linear Formula: [CH3(CH2)5]4N(HSO4)

DETAILS

Sigma Aldrich - 87303

Other Notes
Lipophilic phase transfer catalyst. Most efficient catalyst in ruthenium-catalyzed reactions1
Packaging
5, 25 g in glass bottle

Sigma Aldrich - 369616

Packaging
1, 5 g in glass bottle