4,4'-Dibromooctafluorobiphenyl

Base Information

• Chemical Name: 4,4'-Dibromooctafluorobiphenyl
• CAS No.: 10386-84-2
• Molecular Formula: C12Br2F8
• Molecular Weight: 455.927
• Hs Code.: 29039990
• European Community (EC) Number: 233-847-1
• NSC Number: 96908
• UN Number: 3152
• UNII: GW5TAH388K
• DSSTox Substance ID: DTXSID2074873
• Nikkaji Number: J208.401E
• Wikidata: Q82003012
• Mol file: 10386-84-2.mol

Synonyms:4,4'-Dibromooctafluorobiphenyl;10386-84-2;4,4-DIBROMOOCTAFLUOROBIPHENYL;4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl;1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;1,1'-Biphenyl, 4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro-;C12Br2F8;4,4/'-Dibromooctafluorobiphenyl;4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl;GW5TAH388K;Octafluoro-4,4'-dibromobiphenyl;EINECS 233-847-1;NSC-96908;4,4'-Dibromooctafluorobiphenyl 100 microg/mL in Cyclohexane;4,4'-Dibromooctafluorobiphenyl 2000 microg/mL in Methyl-tert-butyl ether;Dbob Methyl Ester;NSC96908;UNII-GW5TAH388K;SCHEMBL3839816;C12-Br2-F8;DTXSID2074873;1,1'-Biphenyl,4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro-;MFCD00000310;NSC 96908;4,4'-Dibromooctafluorobiphenyl, 99%;AKOS007930355;CS-0121230;D1696;FT-0617031;D89911;4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl #

Chemical Property of 4,4'-Dibromooctafluorobiphenyl

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 113-115 °C(lit.)
• Boiling Point: 295.4 °C at 760 mmHg
• Flash Point: 132.4 °C
• PSA: 0.00000
• Density: 2.065 g/cm³
• LogP: 5.99140
• Storage Temp.: room temp
• Solubility.: soluble in Toluene
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 455.82185
• Heavy Atom Count: 22
• Complexity: 333
• Transport DOT Label: Class 9

Purity/Quality:

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

4,4''-Dibromooctafluorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F, T
• Hazard Codes: Xi,F,T,Xn
• Statements: 36/37/38-67-36-11-63-43-23/24/25-45-40-66
• Safety Statements: 26-36-16-9-36/37-24/25-23-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C2=C(C(=C(C(=C2F)F)Br)F)F
• Uses: 4,4''-Dibromooctafluorobiphenyl is used in the screening of brominated flame retardants and phenolic endocrine disrupters in Finnish human adipose tissue.

Technology Process of 4,4'-Dibromooctafluorobiphenyl

There total 14 articles about 4,4'-Dibromooctafluorobiphenyl 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: 92.3%

1,4-dibromotetrafluorobenzene (344-03-6) → 4,4'-dibromo-2,3,5,6,2',3',5',6'-octafluoro-1,1'-biphenyl (10386-84-2)

Guidance literature:

1,4-dibromotetrafluorobenzene; With magnesium; ethylene dibromide; In tetrahydrofuran; at 20 ℃; for 6.25h; Inert atmosphere;

With (4-bromophenyl)magnesium bromide; copper(l) chloride; In tetrahydrofuran; at 10 - 15 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 91.0%

4′-bromooctafluoro-1,1′-biphenyl-4-thiol → 4,4'-dibromo-2,3,5,6,2',3',5',6'-octafluoro-1,1'-biphenyl (10386-84-2)

Guidance literature:

With bromine; at 218 - 220 ℃; for 24h; Heating; Sealed tube;

DOI:10.1134/S1070363221070097

Reference yield: 77.0%

octafluoro-1,1′-biphenyl-4,4′-dithiol (21386-21-0) → 4,4'-dibromo-2,3,5,6,2',3',5',6'-octafluoro-1,1'-biphenyl (10386-84-2)

Guidance literature:

With bromine; for 20h; Heating; Sealed tube;

DOI:10.1134/S1070363221070097

upstream raw materials:

bromopentafluorobenzene

1,4-dibromotetrafluorobenzene

decafluorobiphenyl

nonafluoro-1,1′-biphenyl-4-thiol

Downstream raw materials:

perfluoro-4-bromo-p-quaterphenyl

4,4'-bis-(triphenylphoshine)gold(I)-μ-2,3,5,6,2',3',5',6'-octafluoro-1,1'-biphenyl

[Au(C₆H₄(As(CH₃)2)2)2]⁽¹⁺⁾*[Au(C₆F₄C₆F₄H)2]^(1-)=[Au(C₆H₄(As(CH₃)2)2)2][Au(C₆F₄C₆F₄H)2]

(Ph₃P)Au(octafluorobiphenyl)

Refernces

• 1、 Cohen,S.C. et al.. "-". . p. 1 - 8. Retrieved 1967.
• 2、 -. "Synthesis method of 2, 2', 3, 3', 5, 5', 6, 6'-octafluoro-4, 4'-dibromobiphenyl". Paragraph 0012; 0027-0047. . Retrieved 2020/07/21.