Boron trifluoride tetrahydrofuran complex CAS#: 462-34-0

By great_watson-int,
Structure of Boron Trifluoride Tetrahydrofuran Complex CAS 462-34-0
IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Boron trifluoride tetrahydrofuran complex
IUPAC Nametrifluoro(oxolan-1-ium-1-yl)boranuide
分子结构Structure of Boron Trifluoride Tetrahydrofuran Complex CAS 462-34-0
CAS编号 462-34-0
EINECS Number207-325-9
MDL NumberMFCD00040372
别名boron trifluoride-tetrahydrofuran complex, trifluoro-tetrahydrofuran-1-ium-1-yl-boron, boron trifluoride tetrahydrofuran complex, boron trifluoridetetrahydrofuran complex, borontrifluoride tetrahydrofuran complex, trifluoroborane-tetrahydrofuran complex, boron trifluoride tetrahydrofuran
分子式BF3 · THF 
分子量139.91
InChIInChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2
InChI KeyXYMZNNGTHKHCJH-UHFFFAOYSA-N
Canonical SMILES[B-]([O+]1CCCC1)(F)(F)F
Patent Information
Patent IDTitlePublication Date
US2003/236430 Preparation of protected amino acids 2003
EP1428827 Derivatives of 2,2′-Di (3,4-alkylenedioxythiophen) their preparation and use 2004
WO2006/34459 SUBSTITUTED ARYLPYRAZOLES 2006

Physical Data

AppearanceYellowish or light yellow transparent liquid
Water SolubilitySlightly soluble(1.87e-02 g/L)
Melting Point−123 °C(lit.)
Boiling Point180 °C(lit.)
SolubilityMiscible with dimethyl formamide.
Water solubilityhydrolysis
Density1.268 g/mL at 25 °C(lit.)
SensitivityMoisture Sensitive

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts11Bchloroform-d1 128.33

Route of Synthesis (ROS)

Route-of-Synthesis-ROS-of-Boron-trifluoride-tetrahydrofuran-complex-CAS-462-34-0
Route-of-Synthesis-ROS-of-Boron-trifluoride-tetrahydrofuran-complex-CAS-462-34-0
ConditionsYield
With peracetic acid; ammonium 76Br-bromide; ammonia In methanol; water at 20℃; for 0.166667h;

Experimental Procedure
No-carrier-added NH476Br (3.7 MBq in 0.1percent aqueous NH4OH) was placed into a 2 mL Wheaton vial containing trifluoroborate (100 μL of 5.2.x.10-2 M solution in 50percent aqueous tetrahydrofuran). To this was added peracetic acid (100 μl, 0.3percent solution in methanol). The reaction vial was sealed, covered with aluminum foil, and the mixture stirred for 10 min at room temperature. The radiobrominated product was isolated by passing through a silica gel Sep-Pak cartridge using petroleum ether as eluent. The radiochemical purity of the 1-[76Br]bromo-2-phenylethyne was determined by radio-TLC (aluminum backed silica gel plate, hexane) Rf=0.73. The radiochemical (decay corrected) was found to be 80percent and the radiochemical purity was >98percent. The total synthesis time was 20 min. Alkenyltrifluoroborates were radiobrominated using the same procedure.		80%

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageUnder the room temperature and away from light
Shelf LifeNo data vailable
Market PriceNo data vailable
Use Pattern
Boron trifluoride tetrahydrofuran complex CAS#: 462-34-0 as a acid additive as Lewis acid

Boron trifluoride-acetic acid complex CAS#: 373-61-5

By great_watson-int,
Structure of Boron Trifluoride-Acetic Acid Complex CAS 373-61-5
IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Boron trifluoride-acetic acid
IUPAC Nameacetic acid;trifluoroborane
分子结构Structure of Boron Trifluoride-Acetic Acid Complex CAS 373-61-5
CAS编号 373-61-5
EINECS Number206-768-5
MDL NumberMFCD00036359
Beilstein Registry Number3686517
别名boron trifluoride diacetate, boron trifluoride acetic acid complex, boron trifluoride-acetic acid complex, borontrifluoride acetic acid complex, trifluoroborane-acetic acid complex, boron trifluoride diacetic acid, borontrifluoride diacetic acid
分子式BF3 · 2CH3COOH
分子量187.91 
InChIInChI=1S/2C2H4O2.BF3/c21-2(3)4;2-1(3)4/h21H3,(H,3,4)
InChI KeyCOTMJGCQSLZICX-UHFFFAOYSA-N
Canonical SMILESB(F)(F)F.CC(=O)O.CC(=O)O
Patent Information
Patent IDTitlePublication Date
US2014/51648 Inhibitor of Sodium-Dependent Glucose Transport Protein and Preparation Method Therefor and Use Thereof 2014

Physical Data

AppearanceYellowish or light yellow transparent liquid
Water Solubilityreacts
Refractive indexn20/D 1.368(lit.)
SensitivityMoisture Sensitive
Boiling Point, °C Pressure (Boiling Point), Torr
64 – 66 15
53 – 54 10
5410
140746
Density, g·cm-3Reference Temperature, °C Measurement Temperature, °CComment (Density)
1.366
1.3421 20ref. temp. 4 Deg C
1.3421 420
1.351421
Refractive Index Wavelength (Refractive Index), nm Temperature (Refractive Index), °C
1.3735 58925
1.36915 587.6 21.1
1.36915 21

Spectra

Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Comment (NMR Spectroscopy)
11Bdimethylsulfoxide-d6 Signals given
19Fdimethylsulfoxide-d6 Signals given

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Boron trifluoride-acetic acid complex CAS# 373-61-5
Route of Synthesis (ROS) of Boron trifluoride-acetic acid complex CAS# 373-61-5
ConditionsYield
With boron trifluoride

Safety and Hazards

Pictogram(s)corrosionexclamation-markhealth-hazard
SignalDanger
GHS Hazard StatementsH290: May be corrosive to metals [Warning Corrosive to Metals]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Information may vary between notifications depending on impurities, additives, and other factors. 
Precautionary Statement CodesP234, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P314, P321, P330, P363, P390, P404, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceNo data available
Use Pattern
Boron trifluoride-acetic acid complex CAS#: 373-61-5 is a kind of catalyst for flavor
Boron trifluoride-acetic acid complex CAS#: 373-61-5 as a kind of catalyst for fragrance
Boron trifluoride-acetic acid complex CAS#: 373-61-5 as a kind of catalyst for organic synthesis
Boron trifluoride-acetic acid complex CAS#: 373-61-5 as a kind of catalyst for condensation reactions