353-42-4

Basic information

• Product Name: Boron trifluoride dimethyl etherate
• Synonyms: BORON TRIFLUORIDE-METHYL;Boron trifluoride diMethyl etherate 50ML;Boron trifluoride diMethyl etherate, 59% BF3;Boron trifluoride Methyl etherate, 60% BF3 basis, SpcSeal;(Dimethyl ether)trifluoroboron;Boron trifluoride dimethyleetherate;Boron,trifluoro[oxybis[methane]]-,(T-4)-;borontrifluoridecompoundwith
• CAS NO: 353-42-4
• Molecular Formula: BF₃*C₂H₆O
• Molecular Weight: 113.87
• EINECS: 206-532-1
• Product Categories: Lewis Acids;Boron;BoronSynthetic Reagents;Catalysis and Inorganic Chemistry;Chemical Synthesis
• Mol File: 353-42-4.mol

Chemical Properties

• Melting Point: -14 °C
• Boiling Point: 126-127 °C(lit.)
• Flash Point: 96 °F
• Appearance: Clear brownish/Liquid, Fuming In Moist Air
• Density: 1.239 g/mL at 25 °C(lit.)
• Vapor Pressure: 2.99hPa at 20℃
• Refractive Index: n20/D 1.308(lit.)
• Storage Temp.: water-free area
• Explosive Limit: 21.6%
• Water Solubility: reacts
• BRN: 3613739
• CAS DataBase Reference: Boron trifluoride dimethyl etherate(CAS DataBase Reference)
• NIST Chemistry Reference: Boron trifluoride dimethyl etherate(353-42-4)
• EPA Substance Registry System: Boron trifluoride dimethyl etherate(353-42-4)

Safety Data

• Hazard Codes: F,C,T
• Statements: 14/15-34-48/23-20/22
• Safety Statements: 16-26-28-36/37/39-45-8-43-28A-23
• RIDADR: UN 2965 4.3/PG 1
• WGK Germany: 3
• RTECS: ED8400000
• F: 10
• HazardClass: 4.3
• PackingGroup: I
• Hazardous Substances Data: 353-42-4(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
Boron trifluoride dimethyl etherate is used as a catalyst for the synthesis of neurogenic ganglioside LLG-3 from starfish via glycosylation reactions. It facilitates the formation of the desired product by lowering the activation energy of the reaction.
Used in Catalyst Research:
Boron trifluoride dimethyl etherate is used as a catalyst in the deconvolution of chemical reaction kinetics of platinum-silver ligand exchange. It helps in understanding the reaction mechanism and optimizing the reaction conditions.
Used in Pharmaceutical Industry:
Boron trifluoride dimethyl etherate is used as a catalyst for the synthesis of peloruside via lactonization and relay ring-closing metathesis cyclization. This application is crucial in the production of pharmaceutical compounds with potential therapeutic applications.
Used in Analytical Chemistry:
Boron trifluoride dimethyl etherate is used as a catalyst for FRET (F?rster Resonance Energy Transfer) experiments, which are employed for monitoring Pd-catalyzed nucleophilic allylic substitution reactions. This technique allows for the study of reaction dynamics and the development of more efficient catalytic systems.
Used in Material Science:
Boron trifluoride dimethyl etherate is used as a catalyst in β-elimination and rearrangement reactions for the synthesis of exocyclic vinyl ethers. These reactions are essential in the development of new materials with unique properties and potential applications in various industries.
Used in Single Molecule Imaging:
Boron trifluoride dimethyl etherate is used as a catalyst for single molecule imaging of fluorophore-tagged palladium(II) complexes. This application aids in the study of molecular interactions and the development of new imaging techniques.

Air & Water Reactions

Highly flammable. In moist air forms dense white pungent fumes, corrosive to skin, avoid inhalation [Merck 11th ed. 1989]. Upon exposure to water may emit flammable and corrosive vapors.

Reactivity Profile

Boron trifluoride dimethyl etherate is a flammable, corrosive, and toxic liquid, moisture-sensitive. Emits toxic fluoride fumes when heated to decomposition [Lewis, 3rd ed., 1993, p. 189].

Health Hazard

Boron trifluoride dimethyl etherate is highly toxic by inhalation.

Fire Hazard

Fire may produce irritating or poisonous gases. Flammable/combustible material which may be ignited by heat spark or flame. Vapors may travel to a source of ignition and flash back. Container may explode in heat of fire. Vapor explosion hazard indoors, outdoors, or in sewer. Runoff to sewer may create fire or explosion hazard. When heated to decomposition, Boron trifluoride dimethyl etherate emits toxic fumes of fluorides.

Flammability and Explosibility

Contactwithwaterliberateshighlyflammablegases

InChI:InChI=1/C2H6BF3O/c1-7(2)3(4,5)6/h1-2H3

Upstream product

• 7637-07-2 boron trifluoride 
• 115-10-6 Dimethyl ether 
• 616-38-6 carbonic acid dimethyl ester 
• 67-56-1 methanol 

Downstream Products

• 115-10-6 Dimethyl ether 
• 7637-07-2 boron trifluoride 
• 736907-26-9 {B(Cl₂C₆H₃)F₃}^(1-) 
• 7783-62-2 tin(IV) fluoride 
• 4375-83-1 tris(dimethylamino)borane 
• 99554-66-2 (Mn₂H(CNBF₃)(CO)5((C₆H₅)2PCH₂P(C₆H₅)2)2) 
• 136577-84-9 5,5-pentamethylene-2-phenyl-4,5-dihydrooxazol-N-oxide(N-O-B)trifluoroborane 
• 610-97-9 o-iodo-methyl-benzoic acid 
• 100-17-4 para-methoxynitrobenzene 
• 623-12-1 4-chloromethoxybenzene 
• 1616618-20-2 C₂₆H₃₁BF₂N₂O 
• 1616618-16-6 C₂₉H₃₂BF₂IN₂O₂ 
• 1395415-91-4 [4-(2-chloro-phenyl)-pyridin-3-yl]-(1-methoxy-cyclopropyl)-amine 
• 5466-77-3 2-ethylhexyl methoxycinnamate 

Relevant articles and documents

The Fourier transform infrared spectra of the complexes of boron trifluoride with dimethyl ether and dimethyl sulphide in cryogenic matrices

The infrared spectra of boron trifluoride, co-condensed with dimethyl ether and with dimethyl sulphide in nitrogen and argon matrices at ca. 17 K, have been recorded. The spectra are consistent with the formation of 1:1 electron donor-acceptor molecular c

TEMPERATURE EFFECTS OF THE MOLECULAR STRUCTURE OF DIMETHYL ETHER-BORON TRIFLUORIDE AS STUDIED BY GAS-PHASE ELECTRON DIFFRACTION

The molecular structure of dimethyl ether-boron trifluoride (CH3)2O.BF3 has been studied at temperatures of 16, 30 and 70 deg C by gas-phase electron diffraction.The molecule exists in a staggered conformation with an O-B distance of 1.75 +/- 0.02 Angstroem, an angle between the O-B bond and the COC plane of 40 +/- 8 deg and an FBF angle 117 +/- 2 deg at each temperature.However, the F-B and C-O distances are found to decrease with increasing temperature, and appear to converge to the corresponding values of the component molecules.The temperature dependence of the B-F and C-O distances is surprisingly large, compared with those in other molecules.

RELAXATION KINETICS IN GASEOUS LEWIS ACID/BASE SYSTEMS: THE PROTOTYPE, (CH3)2O+BF3

When a gaseous mixture of ether, boron trifluoride and their complex, at equilibrium (temperature range 290-335 K), is slightly perturbed by the imposition of a rapid temperature jump ca. 3 to 6 deg, the system relaxes to a new equilibrium.From the dependence of the measured relaxation time on the pressure of the reagents, the initial temperature and the pressure of a diluent gas (argon), we derived rate constants for the dissociation and association processes, based on published values of the equilibrium constant, Keq(T).The temperature dependence of the dissociation rate constant leads to an activation energy (2nd order regime), for comparison with the O-B (donor-acceptor) bond dissociation energy.

Monohydrater cefotiam hydrochloride compound and pharmaceutical composition thereof

The invention discloses a monohydrate cefotiam hydrochloride compound and a preparing method thereof. One mole of cefotiam hydrochloride contains one mole of water, and an x-ray diffraction spectrogram of the compound has characteristic peaks at the positions with the diffraction angles 2theta of 14.82-15.22 degrees, 29.92-30.32 degrees, 31.48-31.88 degrees, 35.01-35.41 degrees and 37.79-38.19 degrees. 7-amino-cephalosporanic acid (7ACA) serving as a starting material is condensed with 1-(2-dimethylaminoethyl)-5-thiotetrazole under the catalytic effect of organic solvents dimethyl carbonate boron trifluoride and the like to prepare an intermediate at a C-3 site; then 2-(2-aminothiazol-4-yl) acetic acid hydrochloride reacts with methylene chloride and concentrated hydrochloric acid gas to prepare acyl chloride at a 7 site, and the one-water cefotiam hydrochloride compound is synthesized. The operation is simple and environmentally friendly, the reactants are easily obtained, the reaction conditions are mild, and the yield is high. The one-water cefotiam hydrochloride compound has low hygroscopicity and impurity content, good fluidity and thermodynamic stability and wider applicationprospects.