Boron trifluoride dihydrate - ≥96% , CAS No.13319-75-0

CAS: 13319-75-0 Cat. No.: B166996 Molecular Weight: 103.84 EC Number: 603-716-7

GRADE & PURITY ≥96%

Synonyms

FT-0694036 | Hydrogen trifluorohydroxyborate(1-) | Boron trifluoride dihydrate | BF3.2H2O | Borate(1-), trifluorohydroxy-, hydrogen, (T-4)- | DTXCID7013264 | Boron fluoride dihydrate | NCGC00090938-01 | UN2851 | Boron trifluoride dihydrate, 96% | DTXSID90

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

application：
Boron trifluoride dihydrate can be used as:

An activator in Pechmann condensation to synthesize 4-methylcoumarin derivatives by the reaction between substituted phenols and methyl acetoacetate.

An initiator for the polymerization of benzoxazine.

A catalyst in the regioselective Fries rearrangement of phenolic esters to give hydroxyphenyl alkyl/aryl ketones.

A catalyst to prepare 8-hydroxymethyltricyclene acetate by the reaction between camphene and formaldehyde in the presence of methylene chloride-acetic anhydride solvent.

Specifications

Synonyms

FT-0694036 | Hydrogen trifluorohydroxyborate(1-) | Boron trifluoride dihydrate | BF3.2H2O | Borate(1-), trifluorohydroxy-, hydrogen, (T-4)- | DTXCID7013264 | Boron fluoride dihydrate | NCGC00090938-01 | UN2851 | Boron trifluoride dihydrate, 96% | DTXSID90

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504753791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753791
• Canonical Smiles: B(F)(F)F.O.O
• IUPAC Name: trifluoroborane;dihydrate
• InChIKey: MJCYPBSRKLJZTB-UHFFFAOYSA-N
• INCHI: 1S/BF3.2H2O/c2-1(3)4;;/h;2*1H2
• Isomeric SMILES: B(F)(F)F.O.O
• WGK Germany: 3
• RTECS: ED2285000
• UN Number: 2851
• Packing Group: II
• Molecular Weight: 103.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Metalloid salts
      • Subclass Metalloid fluorides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Metalloid salts
• Subclass: Metalloid fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Metalloid fluorides
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Metalloid fluoride - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as metalloid fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is a metalloid.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.316
• Flash Point(°F): 136.4 - 140 °F
• Flash Point(°C): 58 - 60 °C
• Molecular Weight: 103.840 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 104.026 Da
• Monoisotopic Mass: 104.026 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 8.000
• 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: 3

XLogP3

References

1. Jie Wang, Wei Gao, Yu Jin, Wangmao Tian, Yutao Zhang, Chengcheng Hu, Baoxia Wang, Shuqi Dong, Liang Yuan.  (2024)  Water-dispersible macromolecular antioxidants for toughening and strengthening cellulose membranes.  CARBOHYDRATE POLYMERS,      [PMID:38823914] [10.1016/j.carbpol.2024.122246]

2. Yuhang Fang, Menglong Niu, Yue Ji, Yongli Yan, Ben Niu, Xiaohua Chai, Baoqi Ma.  (2025)  Catalytic ring-expansion and hydrogenation of coal tar derivatives for high-density fuel: Modifier evaluation and kinetic elucidation.  FUEL,      [PMID:] [10.1016/j.fuel.2025.135520]

3. Yuhang Fang, Menglong Niu, Yue Ji, Yongli Yan, Ben Niu, Xiaohua Chai, Baoqi Ma.  (2025)  Enhancing combustibility of coal tar via 2,5-dimethylfuran-mediated ring expansion: Mechanistic insights from diels-alder/friedel-crafts reactions.  FUEL,      [PMID:] [10.1016/j.fuel.2025.135491]