triethylamine trihydrofluoride

• ChemBase ID: 8672
• Molecular Formular: C6H18F3N
• Molecular Mass: 161.2090296
• Monoisotopic Mass: 161.13913424
• SMILES: N(CC)(CC)CC.F.F.F
• Canonical SMILES: CCN(CC)CC.F.F.F
• InChI: InChI=1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
• InChIKey: IKGLACJFEHSFNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethylamine trihydrofluoride
• IUPAC Traditional name: TEN trihydrofluoride; triethylamine trihydrofluoride
• Synonyms: Tris(ethyl)amine trihydrofluoride 97%; TREAT-HF; Hydrogen fluoride triethylamine; Triethylamine trihydrofluoride; Triethylamine trihydrofluoride; 氟化氢三乙胺; 三乙基胺 三氢氟酸盐

Database IDs

• CAS Number: 73602-61-6
• EC Number: 277-550-5
• MDL Number: MFCD00043294
• Beilstein Number: 5522945
• PubChem SID: 24889351; 160971979; 24861270
• PubChem CID: 175505

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2147028
• LogD (pH = 7.4): -1.4690653
• Log P: 1.2605933
• Molar Refractivity: 34.2339 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70 °C/15 mmHg(lit.); 70°C/15mm
• Density: 0.989; 0.989 g/mL at 25 °C(lit.)
• Refractive Index: 1.3915; 1.392; n20/D 1.3915(lit.)

Safety Information

• Storage Warning: HYGROSCOPIC, KEEP COLD, TOXIC, CORROSIVE; Very Toxic/Corrosive/Keep Cold
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 26/27/28-35
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H314
• GHS Precautionary statements: P260-P264-P280-P284-P301 + P310-P302 + P350
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ~37% HF basis (T); 98%
• Grade: purum
• Quality Level: PREMIUM
• Linear Formula: (C2H5)3N · 3HF

DETAILS

Apollo Scientific Ltd - PC0945

Packaged in Nalgene bottles

Sigma Aldrich - 344648

Application
Mild and selective reagent that has been used in the fluorination of a wide variety of compounds. For a review, see Aldrichimica Acta.1
Preparation of vicinal difluorides from epoxides; synthesis of 3-fluoroazetidine
Packaging
1 kg in poly bottle
5, 25, 100, 500 g in poly bottle

Sigma Aldrich - 90355

Other Notes
Versatile fluorinating agent for the synthesis of acid fluorides, alkyl fluorides etc.1,2,3,4; Cleavage of TBDMS protection5