2-Chloro-4-fluoronitrobenzene

Base Information

• Chemical Name: 2-Chloro-4-fluoronitrobenzene
• CAS No.: 2106-50-5
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.547
• Hs Code.: 29049090
• European Community (EC) Number: 218-286-2
• UNII: HZL4Q2H59S
• DSSTox Substance ID: DTXSID60175288
• Nikkaji Number: J298.697C
• Wikidata: Q72450986
• Mol file: 2106-50-5.mol

Synonyms:2-Chloro-4-fluoronitrobenzene;2106-50-5;2-Chloro-4-fluoro-1-nitrobenzene;Benzene, 2-chloro-4-fluoro-1-nitro-;MFCD03412200;EINECS 218-286-2;SCHEMBL6368;HZL4Q2H59S;2-choro-4-fluoronitrobenzene;3-chloro-4-nitrofluorobenzene;3-chloro-4-nitro-fluorobenzene;DTXSID60175288;4-fluoro-2-chloro-1-nitrobenzene;BBL103994;STL557804;AKOS005257764;AC-2749;CS-W003054;PS-10605;SY002800;AM20050180;C2615;FT-0601462;A20502;EN300-217562;W-107577;2-chloro-4-fluoro-1-nitrobenzene;1-Chloro-5-fluoro-2-nitroBenzene;4-fluoro-2-chloronitrobenzene

Chemical Property of 2-Chloro-4-fluoronitrobenzene

Chemical Property:

• Vapor Pressure: 0.0728mmHg at 25°C
• Melting Point: 34-37 °C
• Refractive Index: 1.554
• Boiling Point: 236.4 °C at 760 mmHg
• Flash Point: 96.8 °C
• PSA: 45.82000
• Density: 1.494 g/cm³
• LogP: 2.91050
• Storage Temp.: Room temperature.
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.9836342
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-fluoronitrobenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-36/38-21/22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)[N+](=O)[O-]

Technology Process of 2-Chloro-4-fluoronitrobenzene

There total 6 articles about 2-Chloro-4-fluoronitrobenzene 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: 70.0%

2,4-dichloronitrobenzene (611-06-3) → 2-chloro-4-fluoro-1-nitrobenzene (2106-50-5) + 2,4-Difluoronitrobenzene (446-35-5) + 4-chloro-2-fluoro-nitrobenzene (700-37-8)

Guidance literature:

With potassium fluoride; water; tetramethlyammonium chloride; In acetic acid; at 120 ℃; for 3.5h;

DOI:10.1039/CC9960000297

Reference yield: 68.0%

2,4-dichloronitrobenzene (611-06-3) → 2-chloro-4-fluoro-1-nitrobenzene (2106-50-5) + 2,4-Difluoronitrobenzene (446-35-5)

Guidance literature:

With potassium fluoride; bis(triphenylphosphine)iminium chloride; In dimethyl sulfoxide; at 150 ℃; for 8h; Inert atmosphere;

DOI:10.1002/adsc.200800428

Reference yield: 51.0%

5-fluoro-2-nitrobenzoic acid (320-98-9) → 2-chloro-4-fluoro-1-nitrobenzene (2106-50-5)

Guidance literature:

With copper(l) iodide; oxygen; copper(l) chloride; In dimethyl sulfoxide; at 160 ℃; for 30h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.5b02873

upstream raw materials:

3-chlorofluorobenzene

2,4-dichloronitrobenzene

5-fluoro-2-nitrobenzoic acid

Downstream raw materials:

N-butyl-5-fluoro-2-nitroaniline

Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate

1-(3-chloro-4-nitro-phenyl)-4-ethyl-piperazine

(3-(benzyloxy)phenyl)(3-chloro-4-nitrophenyl)sulfane

Refernces

• 1、 -. "HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM". Page/Page column 45. . Retrieved 2010/12/29.
• 2、 Moseley, Jonathan D.,Brown, David,Firkin, Catherine R.,Jenkin, Shelley L.,Patel, Bharti,Snape, Evan W.. "Kepner-Tregoe decision analysis as a tool to aid route selection. Part 2. Application to AZD7545, a PDK inhibitor". . p. 1044 - 1059. Retrieved 2013/01/03.