2,2',3,3',5,5',6,6'-Octafluorobiphenyl

Base Information

• Chemical Name: 2,2',3,3',5,5',6,6'-Octafluorobiphenyl
• CAS No.: 3883-86-1
• Molecular Formula: C12H2F8
• Molecular Weight: 298.135
• Hs Code.: 2903999090
• European Community (EC) Number: 223-418-7
• NSC Number: 96909
• UNII: NFP7F6MDR9
• DSSTox Substance ID: DTXSID2063218
• Nikkaji Number: J208.820G
• Wikidata: Q81990577
• Mol file: 3883-86-1.mol

Synonyms:3883-86-1;4H,4'H-Octafluorobiphenyl;2,2',3,3',5,5',6,6'-Octafluorobiphenyl;4H,4H'-Octafluorobiphenyl;4,4'-Dihydrooctafluorobiphenyl;1,2,4,5-tetrafluoro-3-(2,3,5,6-tetrafluorophenyl)benzene;4-H, 4'-H-Octafluorobiphenyl;2,2',3,3',5,5',6,6'-Octafluoro-1,1'-biphenyl;1,1'-Biphenyl, 2,2',3,3',5,5',6,6'-octafluoro-;4H,4H-OCTAFLUOROBIPHENYL;C12H2F8;NFP7F6MDR9;Biphenyl, 2,2',3,3',5,5',6,6'-octafluoro-;EINECS 223-418-7;NSC 96909;NSC-96909;NSC96909;UNII-NFP7F6MDR9;SCHEMBL1995798;DTXSID2063218;C12-H2-F8;MFCD00000312;AKOS015889191;FS-5949;2,3,3',5,5',6,6'-Octafluorobiphenyl;CS-0186469;FT-0609074;O0182;Biphenyl,2',3,3',5,5',6,6'-octafluoro-;T72414;1, 2,2',3,3',5,5',6,6'-octafluoro-;A824294;2,2',3,3',5,5',6,6'-Octafluorobiphenyl, 98%;2,2',3,3',5,5',6,6'-Octafluoro-1,1'-biphenyl #;6-(2,3-difluorocyclohexa-2,5-dien-1-ylidene)-1,2,3,3,4,5-hexafluoro-cyclohexa-1,4-diene

Chemical Property of 2,2',3,3',5,5',6,6'-Octafluorobiphenyl

Chemical Property:

• Melting Point: 84-86 °C(lit.)
• Boiling Point: 222.4 °C at 760 mmHg
• Flash Point: 73.9 °C
• PSA: 0.00000
• Density: 1.582 g/cm³
• LogP: 4.46640
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 298.00287536
• Heavy Atom Count: 20
• Complexity: 279

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2',3,3',5,5',6,6'-Octafluorobiphenyl >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)C2=C(C(=CC(=C2F)F)F)F)F)F
• Uses: 4H,4H''-Octafluorobiphenyl (CAS# 3883-86-1) can be used in electronic and optoelectronic components, as well as, in ink spreading compounds for coatings for ink jet transparencies. This compound can also be used for improved toner flow.

Technology Process of 2,2',3,3',5,5',6,6'-Octafluorobiphenyl

There total 14 articles about 2,2',3,3',5,5',6,6'-Octafluorobiphenyl 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: 100.0%

decafluorobiphenyl (434-90-2) → 2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl (3883-86-1)

Guidance literature:

With water; triethylphosphine; In 1,4-dioxane; at 120 ℃; for 4h; Schlenk technique; Inert atmosphere; Glovebox;

DOI:10.1039/c9nj00721k

Reference yield: 97.0%

4,4,5,5-tetramethyl-2-(2,3,5,6-tetrafluorophenyl)-1,3,2-dioxaborolane (1073339-11-3) → 2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl (3883-86-1)

Guidance literature:

With palladium diacetate; silver(l) oxide; In toluene; at 75 ℃; for 5h; Sealed tube;

DOI:10.1021/jacs.9b11871

Reference yield: 87.0%

biphenyl (92-52-4,1594-86-1) → 2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl (3883-86-1)

Guidance literature:

With trifluorormethanesulfonic acid; trifluoroacetic acid; thallium(III) trifluoroacetate; In water; for 48h; Further byproducts given; Heating;

upstream raw materials:

4,4'-dibromo-2,3,5,6,2',3',5',6'-octafluoro-1,1'-biphenyl

3-iodo-1,2,4,5-tetrafluorobenzene

biphenyl

perfluoro-(4,4'-byphenyldiyl)-dihydrazine

Downstream raw materials:

2,2',3,3',5,5',6,6'-octafluoro-[1,1'-biphenyl]-4,4'-dicarboxylic acid

4,4'-bis(pentafluorophenylmercapto)-octafluorobiphenyl

(Ph₃P)Au(octafluorobiphenyl)

Refernces

• 1、 Contigiani,R.A. et al.. "-". . p. 7 - 15. Retrieved 1971.
• 2、 Cornella, Josep,Katzenburg, Felix,Leutzsch, Markus,N?thling, Nils,Pang, Yue. "Catalytic Hydrodefluorination via Oxidative Addition, Ligand Metathesis, and Reductive Elimination at Bi(I)/Bi(III) Centers". supporting information. p. 12487 - 12493. Retrieved 2021/08/30.
• 3、 Budiman, Yudha P.,Friedrich, Alexandra,Jayaraman, Arumugam,Kerner, Florian,Marder, Todd B.,Radius, Udo. "Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process". supporting information. p. 6036 - 6050. Retrieved 2020/04/27.