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Boron trifluoride acetonitrile complex is a colorless or light yellow transparent liquid that exhibits excellent solubility in water and is miscible with various organic solvents, such as alcohol and ether. It is primarily recognized for its role as a catalyst in organic reactions and serves as a crucial raw material in the production of boron halide, elemental boron, borane, sodium borohydride, and other borides.

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  • 420-16-6 Structure
  • Basic information

    1. Product Name: Boron trifluoride acetonitrile complex
    2. Synonyms: Acetonitriletrifluoroborane;Boron trifluoride acetonitrile complex Solution;Boron trifluoride acetonitrile complex;(Acetonitrile)trifluoroboron;Trifluoroborane acetonitrile complex solution;Boron trifluoride acetonitrile coMplex, 19% BF3;((EthylidyneaMMonio)Methyl)trifluoroborate;Boron trifluoride acetonitrile coMplex, 19% BF3, SpcSeal
    3. CAS NO:420-16-6
    4. Molecular Formula: BF3*C2H3N
    5. Molecular Weight: 108.858
    6. EINECS: N/A
    7. Product Categories: Fluoro series;Boron;BoronSynthetic Reagents;Catalysis and Inorganic Chemistry;Chemical Synthesis;Lewis Acids;Fine Chemical
    8. Mol File: 420-16-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 85.5℃ at 101.325kPa
    3. Flash Point: 10 °C
    4. Appearance: a colorless and transparent liquid, and primrose yellow in color duri
    5. Density: 0.87-0.88 g/mL at 20 °C
    6. Vapor Pressure: 84.1-301.3hPa at 20-50℃
    7. Refractive Index: N/A
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: Boron trifluoride acetonitrile complex(CAS DataBase Reference)
    11. NIST Chemistry Reference: Boron trifluoride acetonitrile complex(420-16-6)
    12. EPA Substance Registry System: Boron trifluoride acetonitrile complex(420-16-6)
  • Safety Data

    1. Hazard Codes: F,T,T+
    2. Statements: 11-20/21/22-34-48/23-35-26-21/22-14
    3. Safety Statements: 26-36/37/39-45-28-16
    4. RIDADR: UN 2924 3/PG 2
    5. WGK Germany: 2
    6. RTECS:
    7. F: 10-21
    8. HazardClass: N/A
    9. PackingGroup: N/A
    10. Hazardous Substances Data: 420-16-6(Hazardous Substances Data)

420-16-6 Usage

Uses

Used in Chemical Industry:
Boron trifluoride acetonitrile complex is used as a catalyst for various organic reactions, facilitating the progress of these reactions and improving their efficiency. Its unique properties make it a valuable component in the synthesis of a wide range of organic compounds.
Used in the Production of Boron Compounds:
As an essential raw material, boron trifluoride acetonitrile complex is utilized in the preparation of boron halide, elemental boron, borane, sodium borohydride, and other borides. These boron-containing compounds find applications in various fields, such as electronics, metallurgy, and chemical manufacturing, due to their unique properties and reactivity.

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.

Check Digit Verification of cas no

The CAS Registry Mumber 420-16-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,2 and 0 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 420-16:
(5*4)+(4*2)+(3*0)+(2*1)+(1*6)=36
36 % 10 = 6
So 420-16-6 is a valid CAS Registry Number.
InChI:InChI=1/C2H3N.B.3FH/c1-2-3;;;;/h1H3;;3*1H/q;+3;;;/p-3

420-16-6 Well-known Company Product Price

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  • Aldrich

  • (91377)  Borontrifluorideacetonitrilecomplexsolution  15.2-16.8% BF3 basis

  • 420-16-6

  • 91377-100ML-F

  • 444.60CNY

  • Detail

420-16-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Boron trifluoride acetonitrile complex

1.2 Other means of identification

Product number -
Other names Acetonitriletrifluoroborane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:420-16-6 SDS

420-16-6Relevant articles and documents

C6F5XeY Molecules (Y = F and Cl): New synthetic approaches. first structural proof of the organoxenon halide molecule C 6F5XeF

Bilir, Vural,Frohn, Hermann-Josef

, p. 505 - 512 (2013/09/23)

The arylxenonium salt [C6F5Xe][BF4] reacts with different sources of nucleophiles, Y (naked fluoride, [N(CH 3)4]F, the silanes, (CH3)3SiCl and (C2H5)3SiH, and the cadmiumorganyl, Cd(C 6F5)2), in coordinating solvents (C 2H5CN, CH3CN, CD3CN). While the products C6F5XeF, C6F5XeCl, and (C6F5)2Xe are well defined molecules, in reactions with (C2H5)3SiH only decomposition products presumably derived from 6F5XeH6F5XeC2H56F5XeF are discussed.

Reactions of fluoroalk-1-en-1-yltrifluoroborate and perfluoroalk-1-yn-1- yltrifluoroborate salts and selected hydrocarbon analogues with hydrogen fluoride and with halogenating agents in aHF and in basic solvents

Bardin, Vadim V.,Adonin, Nicolay Yu.,Frohn, Hermann-Josef

experimental part, p. 114 - 128 (2012/04/10)

The relative rate of the electrophilic hydrodeboration of K[R′BF 3] with HF (27-100%) diminishes in the series R′ = C 4H9CC > C4F9CFCFCC > CF 2C(CF3) > C3F7CC ~ (CF 3)2CFCC > CF3CC. When R′ = CF 3CC the new salt K[CF3CH2-CF2BF 3] was obtained by addition of HF besides CF3CCH and K[BF4]. Small amounts of water caused the formation of K[CF 3CH2-C(O)BF3] as a by-product. The electrophilic halofluorination of perfluoroalkenyltrifluoroborate salts with NCS or NBS in aHF (anhydrous HF) led to K[RFCFHal-CF2BF 3] (from K[RFCFCFBF3]) and K[R FCHal2-CF2BF3] (from K[R FCHalCFBF3] and K[RFCCBF3]) (Hal = Cl, Br). Treatment of K[RFCFCFBF3] and K[R FCCBF3] with 5% F2/N2 in MeCN gave the corresponding salts K[RFCF2-CF2BF 3] in 16-25% isolated yield. Reactions of K[trans-C4F 9CFCFBF3] with Cl2 in MeOH resulted in K[C 4F9CFCl-C(O)BF3] (major product). The latter was also obtained in reactions of K[trans-C4F9CFCFBF 3] with Cl2 in MeCN or sulfolane after sequential methanolysis of the primarily formed products. In contrast, the salts K[RCFCFBF3] (R = CnF2n+1, trans-C 4H9) and K[CF3CCBF3] underwent bromodeboration to RCFCFBr and CF3CCBr, respectively, when they were reacted with bromine in the polar solvents MeOH, MeCN, or sulfolane.

Anodic and cathodic reactions in acetonitrile/tetra-n-butylammonium tetrafluoroborate: an electrochemical and infrared spectroelectrochemical study

Foley, John K.,Korzeniewski, Carol,Pons, Stanley

, p. 201 - 206 (2007/10/02)

In situ infrared spectroelectrochemistry has been used to be observe electrolyte/solvent breakdown processes in TBAF/acetonitrile at a platinum electrode.Anodic breakdown gives the adduct CH3CNBF3 as the major product.Cathodic breakdown gives the anion of 3-aminocrotonitrile as the major product in the absence of water, and the formation of this product is a consequence of reduction of hydrogen dissolved in the metal.In the presence of water the anion of acetamide is also formed, and breakdown commences at much less negative potentials.

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