Chlorobis(pentafluorophenyl)borane

Base Information

• Chemical Name: Chlorobis(pentafluorophenyl)borane
• CAS No.: 2720-03-8
• Molecular Formula: C12BClF10
• Molecular Weight: 380.38
• DSSTox Substance ID: DTXSID70449866
• Nikkaji Number: J676.592K
• Wikidata: Q82269400
• Mol file: 2720-03-8.mol

Synonyms:CHLOROBIS(PENTAFLUOROPHENYL)BORANE;2720-03-8;bis(pentafluorophenyl)chloroborane;Chloro-bis(2,3,4,5,6-pentafluorophenyl)borane;(C6F5)2BCl;ClB(C6F5)2;SCHEMBL1030694;DTXSID70449866;NPCGBGCBMXKWIH-UHFFFAOYSA-N;chlorobis(2,3,4,5,6-pentafluorophenyl)borane

Chemical Property of Chlorobis(pentafluorophenyl)borane

Chemical Property:

• Melting Point: 130-134oC(lit.)
• PSA: 0.00000
• LogP: 3.42210
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 379.9621895
• Heavy Atom Count: 24
• Complexity: 376

Purity/Quality:

99%, ^*data from raw suppliers

CHLOROBIS(PENTAFLUOROPHENYL)BORANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)Cl

Technology Process of Chlorobis(pentafluorophenyl)borane

There total 28 articles about Chlorobis(pentafluorophenyl)borane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

boron trichloride (10294-34-5) + dimethylbis(pentafluorophenyl)tin (801-79-6) → bis(pentafluorophenyl)boron chloride (2720-03-8) + dimethyltin dichloride (753-73-1)

Guidance literature:

In n-heptane; at -70 - 105 ℃;

Reference yield: 81.0%

boron trichloride (10294-34-5) + dimethylbis(pentafluorophenyl)tin (801-79-6) → bis(pentafluorophenyl)boron chloride (2720-03-8)

Guidance literature:

In hexane; toluene; at -78 ℃; Reflux;

DOI:10.1002/chem.202101687

Reference yield: 79.0%

trityl chloride (76-83-5) + bis(pentafluorophenyl)borohydride (165612-94-2) → bis(pentafluorophenyl)boron chloride (2720-03-8)

Guidance literature:

In toluene; at 20 ℃;

DOI:10.1002/chem.201802084

upstream raw materials:

dimethylbis(pentafluorophenyl)tin

boron trichloride

bromopentafluorobenzene

2,3,4,5,6-pentafluorophenylmagnesium bromide

Downstream raw materials:

tetrakis(pentafluorophenyl)diboroxane

di(bis(pentafluorophenyl)boryl)C=CH(pentafluorophenyl)

bis(pentafluorophenyl)borohydride

(C₆F₅)2B(C₆F₄C₆H₄OCH₃)

Refernces

• 1、 Li, Jun,Daniliuc, Constantin G.,Kehr, Gerald,Erker, Gerhard. "Selective formation of heterocyclic: Trans -cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair". . p. 6344 - 6347. Retrieved 2018.
• 2、 Bentley, Jordan N.,Caputo, Christopher B.,Pradhan, Ekadashi,Zeng, Tao. "Bis(pentafluorophenyl)phenothiazylborane-an intramolecular frustrated Lewis pair catalyst for stannane dehydrocoupling". supporting information. p. 16054 - 16058. Retrieved 2020/12/03.
• 3、 Bardin, Vadim V.,Adonin, Nicolay Yu.. "The preparation of pentafluorophenyldihaloboranes from pentafluorophenylmercurials C6F5HgR and BX3: the dramatic dependence of the reaction direction on the ligand R". . p. 1523 - 1531. Retrieved 2019/07/22.