(diethyloxo)trifluoro-λ5-borane

• ChemBase ID: 131833
• Molecular Formular: C4H10BF3O
• Molecular Mass: 141.9278096
• Monoisotopic Mass: 142.07768
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethyloxo)trifluoro-λ^5-borane
• IUPAC Traditional name: (diethyloxo)trifluoro-λ^5-borane
• Synonyms: Boron trifluoride ethyl etherate; Boron trifluoride diethyl etherate; 三氟化硼乙醚; 三氟化硼二乙醚

Database IDs

• CAS Number: 109-63-7
• EC Number: 203-689-8
• MDL Number: MFCD00013194
• Beilstein Number: 3909607
• PubChem SID: 24850505; 24852967; 162226110
• PubChem CID: 517922

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1465
• LogD (pH = 7.4): -1.1465
• Log P: -1.1465
• Molar Refractivity: 38.5094 cm^3
• Polarizability: 11.890558 Å^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: brown liquid
• Melting Point: -58 °C(lit.)
• Boiling Point: 126-129 °C(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 1.120-1.135 g/mL at 20 °C (corresponds to a BF3 content of 46.5-49.5%); 1.15 g/mL(lit.)
• Refractive Index: n20/D 1.344(lit.)
• Vapor Pressure: 4.2 mmHg ( 20 °C)
• Vapor Density: 4.9 (vs air)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2604
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 10-14-22-23-35-48/23
• Safety Statements: 16-23-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• Explode Limits: 36 %
• GHS Hazard statements: H226-H302-H314-H330-H372
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2604 8/PG 1
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥46% BF3 basis; ≥46.5% BF3 basis
• Grade: for synthesis; purum
• Impurities: acid, none detected
• Purified By: redistillation
• Quality: dist.
• Linear Formula: BF3 · O(C2H5)2

DETAILS

Sigma Aldrich - 320188

Packaging
1 L in PVC coated

Sigma Aldrich - 175501

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

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

Other Notes
Specially purified BF3-etherate for organometallic reactions, e.g. activation of organocuprates1

Sigma Aldrich - 15720

Analysis Note
density: 1.120-1.135 g/ml (20°C); corresponds to a BF3 content of 46.5-49.5%