tetrahexylazanium oxidanide

• ChemBase ID: 152072
• Molecular Formular: C24H53NO
• Molecular Mass: 371.68372
• Monoisotopic Mass: 371.41271532
• SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[OH-]
• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[OH-]
• InChI: InChI=1S/C24H52N.H2O/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;/h5-24H2,1-4H3;1H2/q+1;/p-1
• InChIKey: JCJNUSDBRRKQPC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrahexylazanium oxidanide
• IUPAC Traditional name: tetrahexylazanium oxidanide
• Synonyms: Tetrahexylammonium hydroxide solution; 四己基氢氧化铵 溶液

Database IDs

• CAS Number: 17756-56-8
• MDL Number: MFCD00059255
• Beilstein Number: 6019685
• PubChem SID: 24888882; 24888885; 162246217
• PubChem CID: 13998878

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

• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 3267; 3286
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2
• Risk Statements: 11-23/24/25-34-39/23/24/25; 34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H314-H370; H314
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2; UN 3286 3/PG 2

Product Information

• Concentration: ~10% in methanol (T); ~40% in H2O (T)
• Impurities: ≤0.01% halides (as bromide); ≤0.1% halides (as bromide)
• Antion Traces: sulfate (SO42-): ≤1000 mg/kg
• Linear Formula: [CH3(CH2)5]4N(OH)

DETAILS

Sigma Aldrich - 87306

Packaging
25, 100 mL in glass bottle

Sigma Aldrich - 87312

Packaging
25, 100 mL in poly bottle