2,4-Bis(trifluoromethyl)bromobenzene

Base Information

• Chemical Name: 2,4-Bis(trifluoromethyl)bromobenzene
• CAS No.: 327-75-3
• Molecular Formula: C8H3BrF6
• Molecular Weight: 293.006
• Hs Code.: 29039990
• European Community (EC) Number: 642-640-9
• DSSTox Substance ID: DTXSID10186369
• Nikkaji Number: J1.613.570D
• Wikidata: Q72447254
• Mol file: 327-75-3.mol

Synonyms:327-75-3;2,4-Bis(trifluoromethyl)bromobenzene;1-Bromo-2,4-bis(trifluoromethyl)benzene;1,3-bis(trifluoromethyl)-4-bromobenzene;2,4-ditrifluoromethylbromobenzene;Benzene, 1-bromo-2,4-bis(trifluoromethyl)-;4-Bromo-1,3-bis(trifluoromethyl)benzene;MFCD00074904;2,4-Bis-trifluoromethylbromobenzene;2,4-bis(trifluoromethyl)-1-bromobenzene;SCHEMBL496276;DTXSID10186369;CK2353;2,4-bis(trifluoromethyl) bromobenzene;AKOS005257699;AM61478;CS-W012175;1-Bromo-2,4-bis-trifluoromethyl-benzene;PS-11308;1-bromanyl-2,4-bis(trifluoromethyl)benzene;1-Bromo-2,4-bis(trifluoromethyl)benzene #;2,4-Bis(trifluoromethyl)bromobenzene, 98%;A5853;B4207;FT-0609948;A821405

Chemical Property of 2,4-Bis(trifluoromethyl)bromobenzene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 5.01mmHg at 25°C
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 159 °C at 760 mmHg
• Flash Point: 56.5 °C
• PSA: 0.00000
• Density: 1.738 g/cm³
• LogP: 4.48670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 291.93223
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-2,4-bis(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)Br
• Uses: 2,4-Bis(trifluoromethyl)bromobenzene may be used in chemical synthesis.

Technology Process of 2,4-Bis(trifluoromethyl)bromobenzene

There total 3 articles about 2,4-Bis(trifluoromethyl)bromobenzene 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: 92.0%

1,3-bis(trifluoromethyl)benzene (402-31-3) → 1-bromo-2,4-di(trifluoromethyl)benzene (327-75-3)

Guidance literature:

1,3-bis(trifluoromethyl)benzene; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

With carbon tetrabromide; In tetrahydrofuran; hexane; dichloromethane; at -75 - 25 ℃;

DOI:10.1016/S0022-1139(02)00161-6

Reference yield: 37.8%

1-bromo-butane (109-65-9) + 1,3-bis(trifluoromethyl)benzene (402-31-3) → 3,6-bis(trifluoromethyl)bromobenzene (328-70-1) + 2-bromo-1,3-bis-(trifluoromethyl)-benzene (118527-30-3) + 1-bromo-2,4-di(trifluoromethyl)benzene (327-75-3)

Guidance literature:

With bromine; lithium; In diethyl ether;

DOI:10.1246/bcsj.61.1625

Reference yield:

1-methoxy-2,4-bis-trifluoromethyl-benzene (577-05-9) → 1-bromo-2,4-di(trifluoromethyl)benzene (327-75-3)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 25 ℃; for 5h;

upstream raw materials:

1-bromo-butane

1,3-bis(trifluoromethyl)benzene

1-methoxy-2,4-bis-trifluoromethyl-benzene

Downstream raw materials:

1-((4-methoxyphenyl)ethynyl)-2,4-bis(trifluoromethyl)benzene

2,4-bis(trifluoromethyl)-1-((4-(trifluoromethyl)phenyl)ethynyl)benzene

C₁₃H₁₂F₆Si

(S)-6,6'-dimethyl-3,3'-bis(2,4-bistrifluoromethylphenyl)-1,1'-biphenyl-2,2'-diol

Refernces

• 1、 Leconte, Stephane,Ruzziconi, Renzo. "New strategies in the synthesis of regioselectively trifluoromethyl- and trifluoromethoxy-substituted arenes as building blocks for biologically active molecules". . p. 167 - 172. Retrieved 2007/10/03.