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

Base Information

• Chemical Name: 3-(Chloromethyl)-1,2,4,5-tetrafluorobenzene
• CAS No.: 107267-44-7
• Molecular Formula: C₇H₃ClF₄
• Molecular Weight: 198.547
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID70382163
• Wikidata: Q82173483
• Mol file: 107267-44-7.mol

Synonyms:107267-44-7;2,3,5,6-Tetrafluorobenzyl chloride;3-(chloromethyl)-1,2,4,5-tetrafluorobenzene;MFCD03001150;SCHEMBL8858035;DTXSID70382163;AKOS006229044;2,3,5,6-TETRAFLUOROBENZYLCHLORIDE;FT-0609430;FT-0609547;EN300-1984226;A801619

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

Chemical Property:

• Vapor Pressure: 2.85mmHg at 25°C
• Refractive Index: 1.449
• Boiling Point: 162.3°Cat760mmHg
• Flash Point: 56.5°C
• PSA: 0.00000
• Density: 1.482g/cm³
• LogP: 2.98180
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.9859404
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

98%Min ^*data from raw suppliers

2,3,5,6-TetrafluorobenzylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 3-(Chloromethyl)-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:

3-(bromomethyl)-1,2,4,5-tetrafluorobenzene (53001-73-3) → 3-Chloromethyl-1,2,4,5-tetrafluoro-benzene (107267-44-7)

Guidance literature:

With lithium chloride; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201104966

Reference yield:

2,3,5,6-tetrafluorobenzoic acid (652-18-6) → 3-Chloromethyl-1,2,4,5-tetrafluoro-benzene (107267-44-7)

Guidance literature:

With sodium tetrahydroborate; sulfuryl dichloride; tetrabutylammomium bromide; Yield given. Multistep reaction;

Reference yield:

3-Chloromethyl-1,2,4,5-tetrafluoro-benzene (107267-44-7) → 1-(chloromethyl)-2,3,5,6-tetrafluoro-4-iodobenzene (1360880-90-5)

Guidance literature:

3-Chloromethyl-1,2,4,5-tetrafluoro-benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h; Inert atmosphere;

With iodine; In tetrahydrofuran; hexane; Inert atmosphere;

DOI:10.1002/anie.201104966

upstream raw materials:

2,3,5,6-tetrafluorobenzoic acid

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

Downstream raw materials:

4,5-di(2,3,5,6-tetrafluorobenzylthio)-1,3-dithiole-2-thione

5-methyl-2-piperidino-4-(2,3,5,6-tetrafluorobenzylthio)-1,3-dithiol

C₅₆H₂₈F₁₆I₄O₄

1-(chloromethyl)-2,3,5,6-tetrafluoro-4-iodobenzene

Refernces

• 1、 Costello, Alan T.,Milner, David J.. "AN IMPROVED METHOD FOR THE CONVERSION OF CERTAIN AROMATIC CARBOXYLIC ACIDS INTO BENZYLIC CHLORIDES". . p. 1173 - 1176. Retrieved 2007/10/02.