3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

Base Information

• Chemical Name: 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene
• CAS No.: 53001-73-3
• Molecular Formula: C7H3BrF4
• Molecular Weight: 242.998
• Hs Code.: 29183000
• European Community (EC) Number: 258-289-6
• DSSTox Substance ID: DTXSID80201053
• Nikkaji Number: J295.854F
• Wikidata: Q83074239
• Mol file: 53001-73-3.mol

Synonyms:2,3,5,6-Tetrafluorobenzyl bromide;53001-73-3;3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene;2,3,5,6-tetrafluorobenzylbromide;Benzene, 3-(bromomethyl)-1,2,4,5-tetrafluoro-;EINECS 258-289-6;C7H3BrF4;C7-H3-Br-F4;SCHEMBL1665386;DTXSID80201053;MFCD00013549;A-bromo-2,3,4,6-tetrafluorotoluene;AKOS015854286;FS-3952;FT-0609429;T1886;2,3,5,6-Tetrafluorobenzyl bromide, AldrichCPR;EN300-1894159

Chemical Property of 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

Chemical Property:

• Appearance/Colour: clear colorless to yellowish
• Vapor Pressure: 1.45mmHg at 25°C
• Refractive Index: 1.486-1.488
• Boiling Point: 176.7 °C at 760 mmHg
• Flash Point: 78.5 °C
• PSA: 0.00000
• Density: 1.789g/cm³
• LogP: 3.13790
• Sensitive.: Lachrymatory
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.93543
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-20/21/22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)CBr)F)F

Technology Process of 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

There total 5 articles about 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene 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%

(2,3,5,6-tetrafluorophenyl)methanol (4084-38-2) → 3-(bromomethyl)-1,2,4,5-tetrafluorobenzene (53001-73-3)

Guidance literature:

With hydrogen bromide; acetic acid; at 70 ℃; for 3h;

DOI:10.1016/j.bmc.2021.116498

Reference yield:

2,3,5,6-tetrafluorotoluene (5230-78-4) → 3-(bromomethyl)-1,2,4,5-tetrafluorobenzene (53001-73-3)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

Reference yield:

2,3,5,6-tetrafluorobenzoic acid (652-18-6) → 3-(bromomethyl)-1,2,4,5-tetrafluorobenzene (53001-73-3)

Guidance literature:

With lithium aluminium tetrahydride; hydrogen bromide; Multistep reaction;

DOI:10.1021/ja00108a044

upstream raw materials:

2,3,5,6-tetrafluorobenzoic acid

2,3,5,6-tetrafluorotoluene

(2,3,5,6-tetrafluorophenyl)methanol

1-bromo-2,3,5,6-tetrafluorobenzene

Downstream raw materials:

thioacetic acid S-(2,3,5,6-tetrafluorobenzyl) ester

C₂₀H₂₆F₄N₂O₃

2,4-dimethyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole[3,2-d]pyridazinone

(3aR,7aR)-1-(2',3',5',6'-tetrafluorobenzyl)-2-(2''-(diphenylphosphanyl)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole