1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene

Base Information

• Chemical Name: 1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene
• CAS No.: 653-35-0
• Molecular Formula: C7H2ClF5
• Molecular Weight: 216.538
• Hs Code.: 2903999090
• European Community (EC) Number: 211-501-0
• UNII: J3AMF5UR8V
• DSSTox Substance ID: DTXSID90215646
• Nikkaji Number: J205.941J
• Wikidata: Q72499766
• Mol file: 653-35-0.mol

Synonyms:653-35-0;1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene;2,3,4,5,6-pentafluorobenzyl chloride;2,3,4,5,6-Pentafluorobenzylchloride;(Chloromethyl)pentafluorobenzene;EINECS 211-501-0;C7H2ClF5;J3AMF5UR8V;Benzene, (chloromethyl)pentafluoro-;.alpha.-Chloro-2,3,4,5,6-pentafluorotoluene;1-chloromethyl-2,3,4,5,6-pentafluoro-benzene;UNII-J3AMF5UR8V;C7-H2-Cl-F5;SCHEMBL2074171;DTXSID90215646;CHLOROMETHYLPENTAFLUOROBENZENE;BBL011093;CK2009;MFCD00040864;STK802324;AKOS005622567;AC-9751;AS-45843;2, 3, 4, 5, 6-pentafluorobenzylchloride;A8870;FT-0622127;EN300-226053;1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene #;Benzene, 1-(chloromethyl)2,3,4,5,6-pentafluoro-;BENZENE, 1-(CHLOROMETHYL)-2,3,4,5,6-PENTAFLUORO-

Chemical Property of 1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene

Chemical Property:

• Refractive Index: 1.443
• Boiling Point: 158.8 °C at 760 mmHg
• Flash Point: 55.3 °C
• PSA: 0.00000
• Density: 1.567 g/cm³
• LogP: 3.12090
• Sensitive.: Lachrymatory
• Water Solubility.: Not miscible in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 215.9765186
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene

There total 11 articles about 1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene 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: 80.0%

(2,3,4,5,6-pentafluorophenyl)methanol (440-60-8) → 2,3,4,5,6-pentafluorobenzyl chloride (653-35-0)

Guidance literature:

With thionyl chloride;

DOI:10.1039/b108663d

Reference yield: 41.0%

acetyl chloride (75-36-5) + pentafluorobenzyl 2,6-dimethylphenyl ether (151503-30-9) → Acetic acid 2,6-dimethyl-4-pentafluorophenylmethyl-phenyl ester + 3',5'-dimethyl-4'-pentafluorobenzyloxyacetophenone + Acetic acid 2,6-dimethyl-3-pentafluorophenylmethyl-phenyl ester + 2,3,4,5,6-pentafluorobenzyl chloride (653-35-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; Further byproducts given; Ambient temperature;

DOI:10.1016/S0040-4039(00)79239-2

Reference yield: 41.0%

acetyl chloride (75-36-5) + pentafluorobenzyl 2,6-dimethylphenyl ether (151503-30-9) → 2,6-dimethylphenyl acetate (876-98-2) + Acetic acid 2,6-dimethyl-4-pentafluorophenylmethyl-phenyl ester + 3',5'-dimethyl-4'-pentafluorobenzyloxyacetophenone + Acetic acid 2,6-dimethyl-3-pentafluorophenylmethyl-phenyl ester + 2,3,4,5,6-pentafluorobenzyl chloride (653-35-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; Mechanism; Ambient temperature; or 2,6-difluorophenol;

DOI:10.1016/S0040-4039(00)79239-2

upstream raw materials:

2,3,4,5,6-pentafluorotoluene

acetyl chloride

pentafluorobenzyl 2,6-dimethylphenyl ether

1-(2,6-Difluoro-phenoxymethyl)-2,3,4,5,6-pentafluoro-benzene

Downstream raw materials:

1-Pentafluorphenylpentan

(pentafluorophenyl)acetonitrile

(2,3,4,5,6-pentafluorophenyl)methanol

1,2,3,4,5,6,8-Heptafluoro-7-pentafluorophenylmethyl-naphthalene

Refernces

• 1、 Krasnov,Platonov. "Reductive transformations of organofluorine compounds: II. Hydrodechlorination of chloropolyfluoroarenes by the action of zinc". . p. 1488 - 1499. Retrieved 2007/10/03.