Boron trifluoride tetrahydrofuran complex - 48-50% in THF contains ＞0.5% sulfur dioxide as peroxide formation suppressor , CAS No.462-34-0

CAS: 462-34-0 Cat. No.: B105511 Molecular Weight: 139.91 EC Number: 207-325-9

GRADE & PURITY 48-50% in THF contains ＞0.5% sulfur dioxide as peroxide formation suppressor

Synonyms

trifluoro(oxolan-1-ium-1-yl)boranuide | XYMZNNGTHKHCJH-UHFFFAOYSA-N | AKOS017344331 | MFCD00040372 | trifluoro(tetrahydro-1H-furanium-1-yl)borate | FT-0623185 | BF3·THF | Boron trifluoride THF complex

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Application：

Reactant or reagent involved in:Deoxofluorination of alcohols and carbonyls；Synthesis of methacrylate-PEG-methacrylate-boron trifluoride self-doped gel polymer electrolytes；Hydroboration-oxidation of divinylferrocene；Reagent involved in the synthesis of biologically active molecules such as: NK1 receptor antagonists；Complex polyketide natural products；Selective serotonin reuptake inhibitors；Used extensively as a polymerization initiator.

Specifications

Synonyms

trifluoro(oxolan-1-ium-1-yl)boranuide | XYMZNNGTHKHCJH-UHFFFAOYSA-N | AKOS017344331 | MFCD00040372 | trifluoro(tetrahydro-1H-furanium-1-yl)borate | FT-0623185 | BF3·THF | Boron trifluoride THF complex

Specifications & Purity

48-50% in THF contains ＞0.5% sulfur dioxide as peroxide formation suppressor

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Pubchem Sid: 504771783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771783
• Canonical Smiles: [B-]([O+]1CCCC1)(F)(F)F
• IUPAC Name: trifluoro(oxolan-1-ium-1-yl)boranuide
• InChIKey: XYMZNNGTHKHCJH-UHFFFAOYSA-N
• INCHI: 1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2
• Isomeric SMILES: [B-]([O+]1CCCC1)(F)(F)F
• WGK Germany: 1
• UN Number: 2056
• Packing Group: II
• Molecular Weight: 139.91
• Reaxy-Rn: 14198378
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14198378&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with dimethyl formamide.
• Sensitivity: Light & moisture Sensitive
• Flash Point(°F): 197.6 °F
• Flash Point(°C): 92 °C
• Molecular Weight: 139.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 140.062 Da
• Monoisotopic Mass: 140.062 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 96.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

1. Wenlin Gong, Bo Jin, Rufang Peng, Nengmei Deng, Rongzong Zheng, Shijin Chu.  (2015)  Synthesis and Characterization of [60]Fullerene-Poly(glycidyl nitrate) and Its Thermal Decomposition.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/ie504876c]

2. Xiaochen Liu, Jiaxin Wen, Xingwang Zhao, Bo Shang, Jinglei Lei, Lingjie Li, Fusheng Pan.  (2025)  Innovative fluorinated boron-based electrolyte harmonizes interface chemistry-electrochemistry of Mg anode for accessible rechargeable Mg battery.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164545]

3. Binxiao Wei, Meiling Wang, Yonggen Su, Hengzhi You.  (2026)  Preparation, Characterization, and Theoretical Calculation of Diblock Fluorinated Macro-surfactant and Its Application in Emulsion Polymerization.  ACS Omega,      [PMID:41726720] [10.1021/acsomega.5c10578]