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109-63-7 molecular structure
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(diethyloxo)trifluoro-λ5-borane

ChemBase ID: 131833
Molecular Formular: C4H10BF3O
Molecular Mass: 141.9278096
Monoisotopic Mass: 142.07768
SMILES and InChIs

SMILES:
[B-]([O+](CC)CC)(F)(F)F
Canonical SMILES:
F[B-]([O+](CC)CC)(F)F
InChI:
InChI=1S/C4H10BF3O/c1-3-9(4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey:
MZTVMRUDEFSYGQ-UHFFFAOYSA-N

Cite this record

CBID:131833 http://www.chembase.cn/molecule-131833.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(diethyloxo)trifluoro-λ5-borane
IUPAC Traditional name
(diethyloxo)trifluoro-λ5-borane
Synonyms
Boron trifluoride ethyl etherate
Boron trifluoride diethyl etherate
三氟化硼乙醚
三氟化硼二乙醚
CAS Number
109-63-7
EC Number
203-689-8
MDL Number
MFCD00013194
Beilstein Number
3909607
PubChem SID
24850505
24852967
162226110
PubChem CID
517922

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 517922 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1465  LogD (pH = 7.4) -1.1465 
Log P -1.1465  Molar Refractivity 38.5094 cm3
Polarizability 11.890558 Å3 Polar Surface Area 13.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
brown liquid expand Show data source
Melting Point
-58 °C(lit.) expand Show data source
Boiling Point
126-129 °C(lit.) expand Show data source
Flash Point
118.4 °F expand Show data source
48 °C expand Show data source
Density
1.120-1.135 g/mL at 20 °C (corresponds to a BF3 content of 46.5-49.5%) expand Show data source
1.15 g/mL(lit.) expand Show data source
Refractive Index
n20/D 1.344(lit.) expand Show data source
Vapor Pressure
4.2 mmHg ( 20 °C) expand Show data source
Vapor Density
4.9 (vs air) expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2604 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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
1 expand Show data source
Risk Statements
10-14-22-23-35-48/23 expand Show data source
Safety Statements
16-23-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
36 % expand Show data source
GHS Hazard statements
H226-H302-H314-H330-H372 expand Show data source
GHS Precautionary statements
P260-P280-P284-P305 + P351 + P338-P310 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 2604 8/PG 1 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥46% BF3 basis expand Show data source
≥46.5% BF3 basis expand Show data source
Grade
for synthesis expand Show data source
purum expand Show data source
Impurities
acid, none detected expand Show data source
Purified By
redistillation expand Show data source
Quality
dist. expand Show data source
Linear Formula
BF3 · O(C2H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 320188 external link
Packaging
1 L in PVC coated
Sigma Aldrich - 175501 external link
Application
Catalyst used in the preparation of cyclopentyl- and cycloheptyl[b]indoles from aryl cyclopropyl ketones via [3+2] cycloaddition.1
Lewis acid reagent with broad application
Packaging
1 L in Sure/Seal™
5 mL in glass bottle
4 L in glass bottle
4×25, 100 mL in Sure/Seal™
Sigma Aldrich - 216607 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
25, 4×25, 100, 800 mL in Sure/Seal™
Application
Catalyst in the synthesis of polyol chains.1 Reagent for the coupling of imines to allylstannanes2 and 4′-nitrobenzenesulfenanilide to alkenes and alkynes.3
Sigma Aldrich - 15719 external link
Other Notes
Specially purified BF3-etherate for organometallic reactions, e.g. activation of organocuprates1
Sigma Aldrich - 15720 external link
Analysis Note
density: 1.120-1.135 g/ml (20°C); corresponds to a BF3 content of 46.5-49.5%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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