8.18858

Tetra-n-butylammonium hydrogen sulfate

for synthesis

• Synonym(s): Tetra-n-butylammonium hydrogen sulfate
• Empirical Formula (Hill Notation): C₁₆H₃₇NO₄S
• CAS Number: 32503-27-8
• Molecular Weight: 339.53
• UNSPSC Code: 12352107
• EC Index Number: 251-068-5
• NACRES: NA.22
• MDL number: MFCD00011637

Properties

• Quality Level: 200
• assay: ≥98.0% (acidimetric)
• form: crystals
• pH: 1-2 (20 °C, 100 g/L in H₂O)
• mp: 168-174 °C
• bulk density: 650 kg/m³
• storage temp.: 2-30°C
• SMILES string: [S](=O)(=O)([O-])[O-].[N+](CCCC)(CCCC)(CCCC)CCCC.[H+]
• InChI: 1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• InChI key: SHFJWMWCIHQNCP-UHFFFAOYSA-M

Description

Application

• Effective Oxidation Catalysis: It enhances the oxidation of benzylic and alkane C-H bonds under phase-transfer conditions, using Oxone as a terminal oxidant, indicating its role in improving oxidation reactions in organic chemistry (Cui et al., 2011).


• Hydrogen Bonding Studies: The interaction of Tetra-n-butylammonium hydrogen sulfate with protic acids has been studied, providing insights into hydrogen bond-controlled adduct formation critical for molecular recognition processes in chemical engineering (Zakavi et al., 2010).

Analysis Note

Assay (acidimetric): ≥ 98.0 %
Melting range (lower value): ≥ 167 °C
Melting range (upper value): ≤ 173 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302 - H314 - H412
• pcodes: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1
• Storage Class: 8A - Combustible, corrosive hazardous materials
• wgk: WGK 2
• flash_point_f: 348.1 °F - closed cup
• flash_point_c: 175.6 °C - closed cup