1-Chloro-2,4,6-trifluorobenzene

Base Information

• Chemical Name: 1-Chloro-2,4,6-trifluorobenzene
• CAS No.: 2106-40-3
• Molecular Formula: C6H2 Cl F3
• Molecular Weight: 166.53
• Hs Code.: 2903999090
• European Community (EC) Number: 630-695-1
• DSSTox Substance ID: DTXSID90371514
• Nikkaji Number: J1.099.739I
• Wikidata: Q72511059
• Mol file: 2106-40-3.mol

Synonyms:1-Chloro-2,4,6-trifluorobenzene;2106-40-3;2-chloro-1,3,5-trifluorobenzene;2,4,6-Trifluorochlorobenzene;2-chloro-1,3,5-trifluoro-benzene;SCHEMBL1043332;DTXSID90371514;HNUHTJBTOGQIHV-UHFFFAOYSA-N;MFCD00012239;AKOS007930258;Benzene, 2-chloro-1,3,5-trifluoro-;AS-33098;CS-0157705;FT-0607589;A815112;InChI=1/C6H2ClF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2

Chemical Property of 1-Chloro-2,4,6-trifluorobenzene

Chemical Property:

• Vapor Pressure: 14.2mmHg at 25°C
• Melting Point: -3--2 °C
• Refractive Index: n20/D 1.456(lit.)
• Boiling Point: 124 °C(lit.)
• Flash Point: 106 °F
• PSA: 0.00000
• Density: 1.463 g/mL at 25 °C(lit.)
• LogP: 2.75730
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.9797122
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-2,4,6-trifluorobenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloro-2,4,6-trifluorobenzene

There total 10 articles about 1-Chloro-2,4,6-trifluorobenzene 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%

5-chloro-2,4,6-trifluoroisophthalic acid (27074-08-4) → 2-chloro-1,3,5-trifluorobenzene (2106-40-3)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 80.0%

1,3,5-trichlorotrifluorobenzene (319-88-0) → 2-chloro-1,3,5-trifluorobenzene (2106-40-3)

Guidance literature:

dichloro(2,2'-bipyridine)nickel(II); zinc; In water; N,N-dimethyl-formamide; at 80 ℃; for 3h;

Reference yield: 79.0%

1,3,5-trichlorotrifluorobenzene (319-88-0) → 1,3,5-trifluorobenzene (372-38-3) + 1,3-dichloro-2,4,6-trifluorobenzene (2368-53-8) + 2-chloro-1,3,5-trifluorobenzene (2106-40-3)

Guidance literature:

With copper; zinc; In water; N,N-dimethyl-formamide; at 70 ℃; for 10h;

upstream raw materials:

1,3,5-trifluorobenzene

1,3,5-trichlorotrifluorobenzene

hexachlorobenzene

1,3-difluoro-5-nitrobenzene

Downstream raw materials:

1,3,5-trifluorobenzene

2-chloro-3,5-difluoroaniline

4-chloro-3,5-difluorobenzenamine