Decafluorobenzhydryl bromide

Base Information

• Chemical Name: Decafluorobenzhydryl bromide
• CAS No.: 5736-49-2
• Molecular Formula: C13HBrF10
• Molecular Weight: 427.039
• Hs Code.: 2903999090
• European Community (EC) Number: 227-246-3
• NSC Number: 96915
• DSSTox Substance ID: DTXSID90205961
• Nikkaji Number: J41.666E
• Wikidata: Q83079718
• Mol file: 5736-49-2.mol

Synonyms:Decafluorobenzhydryl bromide;5736-49-2;Bis(pentafluorophenyl)bromomethane;Bis(pentafluorophenyl)methyl bromide;Methane, bromobis(pentafluorophenyl)-;METHANE, BIS(PENTAFLUOROPHENYL)BROMO-;NSC 96915;EINECS 227-246-3;1,1'-(BROMOMETHYLENE)BIS[2,3,4,5,6-PENTAFLUOROBENZENE];BRN 2067250;Benzene, 1,1'-(bromomethylene)bis(2,3,4,5,6-pentafluoro-;1,1'-(Bromomethylene)bis(2,3,4,5,6-pentafluorobenzene);Benzene, 1,1'-(bromomethylene)bis[2,3,4,5,6-pentafluoro-;Benzene, 1,1'-(bromomethylene)bis(2,3,4,5,6-pentafluoro- (9CI);1-[bromo-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene;C13HBrF10;SCHEMBL2977336;C13-H-Br-F10;Bromobis(pentafluorophenyl)methane;DTXSID90205961;di-(pentafluorophenyl)methyl bromide;NSC96915;NSC-96915;AKOS024429336;LS-89992;WLN: FR BF CF DF EF FYER BF CF DF EF FF;Benzene,1'-(bromomethylene)bis[2,3,4,5,6-pentafluoro-;1-[Bromo(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene;1-[Bromo(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene #

Chemical Property of Decafluorobenzhydryl bromide

Chemical Property:

• Boiling Point: 401.5oC at 760 mmHg
• Flash Point: 130.7oC
• PSA: 0.00000
• Density: 1.003g/cm3
• LogP: 5.56190
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 425.91019
• Heavy Atom Count: 24
• Complexity: 371

Purity/Quality:

99% ^*data from raw suppliers

DECAFLUOROBENZHYDRYL BROMIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Decafluorobenzhydryl bromide

There total 2 articles about Decafluorobenzhydryl bromide 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:

decafluorobenzhydrol (1766-76-3) → 1,1'-(Bromomethylene)bis[2,3,4,5,6-pentafluorobenzene] (5736-49-2)

Guidance literature:

With phosphorus tribromide; In tetrachloromethane;

Reference yield:

1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) → 1,1'-(Bromomethylene)bis[2,3,4,5,6-pentafluorobenzene] (5736-49-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 906769/

2: PBr₃ / CCl₄

With phosphorus tribromide; In tetrachloromethane;

Reference yield:

1,1'-(Bromomethylene)bis[2,3,4,5,6-pentafluorobenzene] (5736-49-2) → 1,1,2,2-tetrakis-(pentafluoro phenyl) ethane (5736-50-5)

Guidance literature:

With n-butyllithium;

DOI:10.1039/c19680000287

upstream raw materials:

decafluorobenzhydrol

1-chloro-2,3,4,5,6-pentafluorobenzene

Downstream raw materials:

1,1,2,2-tetrakis-(pentafluoro phenyl) ethane