N,N,N-trimethylanilinium oxidanide

• ChemBase ID: 152535
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: C[N+](C)(C)c1ccccc1.[OH-]
• Canonical SMILES: C[N+](c1ccccc1)(C)C.[OH-]
• InChI: InChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1
• InChIKey: HADKRTWCOYPCPH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N-trimethylanilinium oxidanide
• IUPAC Traditional name: tetrabutylammonium tribromide oxidanide
• Synonyms: TMAH; Phenyltrimethylammonium hydroxide; Trimethylphenylammonium hydroxide solution; 苯基三甲基氢氧化铵; 三甲基苯基氢氧化铵 溶液

Database IDs

• CAS Number: 1899-02-1
• MDL Number: MFCD00041899
• Beilstein Number: 3917033
• PubChem SID: 162246680; 24887433; 24887432
• PubChem CID: 15913

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.96705
• LogD (pH = 7.4): -1.96705
• Log P: -1.96705
• Molar Refractivity: 55.6793 cm^3
• Polarizability: 17.334887 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F
• Refractive Index: n20/D 1.395

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 1230; 3267
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2
• Risk Statements: 11-23/24/25-36/38-39/23/24/25; 34
• Safety Statements: 16-26-36/37-45; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H314-H331-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 1230 3/PG 2; UN 3267 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~0.5 M (CH3)3N(OH)C6H5 in methanol; ~25% in H2O (1.68 M)
• Grade: for GC derivatization
• Impurities: ≤0.2% halides (as chloride)
• Derivatization reagent for: Esterifications
• Linear Formula: (CH3)3N(OH)C6H5

DETAILS

Sigma Aldrich - 79267

Packaging
100 mL in poly bottle

Sigma Aldrich - 79266

Other Notes
Sales restrictions may apply