Benzene, 1,3,5-tribromo-2,4,6-trifluoro-

Base Information

• Chemical Name: Benzene, 1,3,5-tribromo-2,4,6-trifluoro-
• CAS No.: 2368-49-2
• Molecular Formula: C6Br3 F3
• Molecular Weight: 368.773
• Hs Code.: 2903999090
• European Community (EC) Number: 651-902-1
• DSSTox Substance ID: DTXSID70178346
• Nikkaji Number: J1.299.245I
• Wikidata: Q83048733
• Mol file: 2368-49-2.mol

Synonyms:2368-49-2;1,3,5-tribromo-2,4,6-trifluorobenzene;Benzene, 1,3,5-tribromo-2,4,6-trifluoro-;1,3,5-TRIBROMO-2,4,6-TRIFLUORO-BENZENE;MFCD00192722;C6Br3F3;SCHEMBL3834812;DTXSID70178346;AMY28382;AKOS024427143;s10841;AS-64584;SY254031;CS-0197066

Chemical Property of Benzene, 1,3,5-tribromo-2,4,6-trifluoro-

Chemical Property:

• Vapor Pressure: 0.122mmHg at 25°C
• Melting Point: 98.0-99.0 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 226.6°Cat760mmHg
• Flash Point: 90.9°C
• PSA: 0.00000
• Density: 2.448g/cm³
• LogP: 4.39140
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 367.74817
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

99%, ^*data from raw suppliers

1,3,5-Tribromo-2,4,6-trifluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Br)F)Br)F)Br)F

Technology Process of Benzene, 1,3,5-tribromo-2,4,6-trifluoro-

There total 7 articles about Benzene, 1,3,5-tribromo-2,4,6-trifluoro- 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: 85.0%

→ 1,3,5-tribromo-2,4,6-trifluoro-benzene (2368-49-2)

Guidance literature:

Reference yield: 48.0%

1,3,5-trifluorobenzene (372-38-3) → 1,3,5-tribromo-2,4,6-trifluoro-benzene (2368-49-2)

Guidance literature:

With N-Bromosuccinimide; trifluorormethanesulfonic acid; at 0 - 20 ℃;

DOI:10.1016/j.tet.2010.10.069

Reference yield:

1,3-difluoro-5-nitrobenzene (2265-94-3) → 1,3,5-tribromo-2,4,6-trifluoro-benzene (2368-49-2)

Guidance literature:

Multi-step reaction with 3 steps

1: iron; aqueous NH₄Cl

3: iron; bromine

With bromine; iron; ammonium chloride;

DOI:10.1021/ja01145a055

upstream raw materials:

1,3,5-trifluorobenzene

hexabromobenzene

1,3-difluoro-5-nitrobenzene

3,5-difluoroaniline

Downstream raw materials:

1,3,5-trifluoro-2,4,6-tris(p-tolylthio)benzene

perfluoro-1,3,5-triphenylbenzene

C₆₀H₁₂F₃₀

C₄₂Br₃F₂₇