ChemicalBook--->CAS DataBase List--->420-16-6

420-16-6

420-16-6 Structure

420-16-6 Structure
IdentificationBack Directory
[Name]

Boron trifluoride acetonitrile complex
[CAS]

420-16-6
[Synonyms]

Acetonitriletrifluoroborane
(Acetonitrile)trifluoroboron
Boron trifluoride acetonitrile complex
((EthylidyneaMMonio)Methyl)trifluoroborate
Trifluoroborane acetonitrile complex solution
Boron trifluoride acetonitrile coMplex, 19% BF3
Boron trifluoride acetonitrile complex Solution
Boron trifluoride acetonitrile coMplex, 19% BF3, SpcSeal
Boron trifluoride acetonitrile complex solution 15.2-16.8% BF3 basis
[EINECS(EC#)]

690-796-1
[Molecular Formula]

C2H3N.BF3
[MDL Number]

MFCD01863316
[MOL File]

420-16-6.mol
[Molecular Weight]

108.858
Chemical PropertiesBack Directory
[Boiling point ]

85.5℃ at 101.325kPa
[density ]

0.87-0.88 g/mL at 20 °C
[vapor pressure ]

84.1-301.3hPa at 20-50℃
[Fp ]

10 °C
[storage temp. ]

2-8°C
[form ]

liquid
[color ]

Clear
[explosive limit]

3-17% (v/v) Information refers to the main component.)
[InChI]

InChI=1S/C2H3BF3N/c1-2-7-3(4,5)6/h1H3
[InChIKey]

NYHKSSGDACWZOX-UHFFFAOYSA-N
[SMILES]

N(#CC)[B+3]([F-])([F-])[F-]
[LogP]

-0.74--0.34
[NIST Chemistry Reference]

acetonitrile trifluoroborate(420-16-6)
Safety DataBack Directory
[Hazard Codes ]

F,T,T+
[Risk Statements ]

11-20/21/22-34-48/23-35-26-21/22-14
[Safety Statements ]

26-36/37/39-45-28-16
[RIDADR ]

UN 2924 3/PG 2
[WGK Germany ]

2
[F ]

10-21
[Autoignition Temperature]

524°C (Information refers to the main component.)
[REACH Registrations]

Active
[HS Code ]

29269090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 2
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Acetonitrile-->Hydrogen fluoride-->Boric acid
Hazard InformationBack Directory
[Chemical Properties]

Boron trifluoride acetonitrile complex is a colorless or light yellow transparent liquid, easily soluble in water, and miscible in various organic solvents such as alcohol and ether. It is mainly used as a catalyst for organic reactions. It is an important raw material for the preparation of boron halide, elemental boron, borane, sodium borohydride and other borides.
[reaction suitability]

core: boron
reagent type: Lewis acid
reagent type: catalyst
[Synthesis]

Boron trifluoride acetonitrile complex can be prepared by 20% oleum, boron anhydride and fluorite(9:1:3) were stirred at 130℃ and then poured into acetonitrile to give the complexation.
Questions And AnswerBack Directory
[Application]

Boron trifluoride complexes are highly active catalysts that can be used in a variety of organic synthesis reactions. In particular, in the synthesis of cephalosporin antibacterial drugs, the introduction of boron trifluoride complexes not only shortens the reaction time of the original products but also significantly increases their yield.
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