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Boron trifluoride etherate

Properties, data and information sources.

 

Contents

Boron trifluoride etherate is a chemical compound from the group of complex compounds. In detail it is a Lewis acid-base adduct made from boron trifluoride and the diethyl ether. The molecule has a tetrahedral boron atom coordinated to the O atom of ether ligand.

 

Names and Identifiers

Name
Boron trifluoride etherate
Formula
C4H10BF3O
BF3 × OEt2
Molar mass
141.928 (g/mol)
CAS registry number
109-63-7
EC number EINECS
203-689-8
InChI Key
KZMGYPLQYOPHEL-UHFFFAOYSA-N

Systematic name
Ethoxyethane trifluoroborane

Other names, synonyms
Boron trifluoride diethyl etherate; Boron Trifluoride Ethyl Ether; Boron trifluoride–ether complex; Diethyl ether-boron trifluoride; (Diethyloxo)trifluoro-λ5-borane

Abbreviation
BF3OEt2

 

Chemical formulas

Molecular formula and structural formula of Boron trifluoride etherate:

 

Boron trifluoride etherate

 

C4H10BF3O or BF3 × OEt2

Mr = 141.9282 g/mol

Ethoxyethane trifluoroborane
SMILES: B(F)(F)F.CCOCC

 

Data and Properties

Boron trifluoride etherate exists in its purest form as a pungent-smelling, colorless, air-smoking liquid that reacts violently with water. The chemical quickly turns yellow. Older specimens show a brownish color. The development of smoke in the air is due to hydrolysis caused by atmospheric moisture.

melting point
-58 °C
boiling point
126 °C
flash point
58.5 °C
ignition temperature
185 °C
density
1.129 g cm-3 at 20 °C
vapor pressure
2.7 hPa at 20 °C
viscosity
1.86 mPa s at 20 °C

 

Spectroscopic data:

Boron trifluoride etherate is used as a reference substance for boron-11 NMR spectroscopy (11B NMR).

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
DWPlond4sMn

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Boron trifluoride etherate - C4H10BF3O - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
4 Ar = 12.011 u
ΣAr = 48.044 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
 
12C: 33.4921 %
14C: trace
13C: 0.35882 %
33.8509 %H
Hydrogen
10 Ar = 1.008 u
ΣAr = 10.08 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 7.10147 %
2H: 0.00071 %
7.1022 %B
Boron
1ΣAr = 10.81 u
10B: 10.01294 u [19,65 %]
11B: 11.00931 u [80,35 %]
 
10B: 1.49665 %
11B: 6.11988 %
7.6165 %F
Fluorine
3 Ar = 18.998403163 u
ΣAr = 56.995209489 u
19F: 18.9984 u [100 %]
 
19F: 40.15777 %
40.1578 %O
Oxygen
1ΣAr = 15.999 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 11.24521 %
17O: 0.00432 %
18O: 0.02311 %
11.2726 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 141.928209489 grams per mole.

The amount of substance in one kilogram of the substance is n = 7.046 mol.

The amount of substance in one gram of the substance is n = 0.007 mol.

Monoisotopic mass: 142.07767943 Da - related to 12C41H1011B19F316O.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Danger

GHS hazard statements (H phrases):


H226
Flammable liquid and vapour

H302
Harmful if swallowed

H314
Causes severe skin burns and eye damage

H318
Causes serious eye damage

H330
Fatal if inhaled

H332
Harmful if inhaled

H372
Causes damage to organs through prolonged or repeated exposure

Labeling in the EU: See ECHA Substance Infocard 100.003.355.

For toxicology and occupational safety when handling Boron trifluoride etherate as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 510523.

 

External Sources

PubChem:ID 8000ChemSpider:ID 17983029UNII of the FDA (USA):Unique Ingredient Identifier 422VHH19ITEPA CompTox Chemicals Dashboard:DTXSID601015537

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Boron trifluoride etherate as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Boron_trifluoride_etherate.

 


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Last update: 2024-09-24


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