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73602-61-6 molecular structure
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triethylamine trihydrofluoride

ChemBase ID: 8672
Molecular Formular: C6H18F3N
Molecular Mass: 161.2090296
Monoisotopic Mass: 161.13913424
SMILES and InChIs

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

Cite this record

CBID:8672 http://www.chembase.cn/molecule-8672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2147028  LogD (pH = 7.4) -1.4690653 
Log P 1.2605933  Molar Refractivity 34.2339 cm3
Polarizability 13.342089 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
70 °C/15 mmHg(lit.) expand Show data source
70°C/15mm expand Show data source
Density
0.989 expand Show data source
0.989 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.3915 expand Show data source
1.392 expand Show data source
n20/D 1.3915(lit.) expand Show data source
Storage Warning
HYGROSCOPIC, KEEP COLD, TOXIC, CORROSIVE expand Show data source
Very Toxic/Corrosive/Keep Cold expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
26/27/28-35 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300 +H310 + H330-H314 expand Show data source
GHS Precautionary statements
P260-P264-P280-P284-P301 + P310-P302 + P350 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Purity
~37% HF basis (T) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Quality Level
PREMIUM expand Show data source
Linear Formula
(C2H5)3N · 3HF expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC0945 external link
Packaged in Nalgene bottles
Sigma Aldrich - 344648 external link
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 external link
Other Notes
Versatile fluorinating agent for the synthesis of acid fluorides, alkyl fluorides etc.1,2,3,4; Cleavage of TBDMS protection5

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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