4-Chloro-2-fluoro-1-nitrobenzene

Base Information

• Chemical Name: 4-Chloro-2-fluoro-1-nitrobenzene
• CAS No.: 700-37-8
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.547
• Hs Code.: 2904909090
• European Community (EC) Number: 211-842-5
• DSSTox Substance ID: DTXSID40220260
• Nikkaji Number: J193.060E
• Wikidata: Q72450967
• Mol file: 700-37-8.mol

Synonyms:4-Chloro-2-fluoronitrobenzene;700-37-8;4-Chloro-2-fluoro-1-nitrobenzene;2-FLUORO-4-CHLORONITROBENZENE;1-chloro-3-fluoro-4-nitrobenzene;Benzene, 4-chloro-2-fluoro-1-nitro-;4-chloro-2-fluoro-1-nitro-benzene;EINECS 211-842-5;MFCD00042211;SCHEMBL29348;5-chloro-2-nitrofluorobenzene;2-fluoro-4-chloro-nitrobenzene;4-chloro-2-fluoro-nitrobenzene;PTCPUGKKWNMITF-UHFFFAOYSA-;DTXSID40220260;1-Nitro-2-fluoro-4-chlorobenzene;2-fluoro-4-chloro-1-nitro-benzene;4-chloro-2-fluoro-1-nitro benzene;4-Chloro-2-fluoro-1-nitrobenzene #;AKOS005256685;AC-9689;CS-W002202;AS-14572;SY013131;AM20060201;FT-0601438;4-Chloro-2-fluoro-1-nitrobenzene, AldrichCPR;EN300-152826;J-514942;W-202320

Chemical Property of 4-Chloro-2-fluoro-1-nitrobenzene

Chemical Property:

• Appearance/Colour: light brown solid
• Melting Point: 48°C
• Boiling Point: 241.8 °C at 760 mmHg
• Flash Point: 100 °C
• PSA: 45.82000
• Density: 1.494 g/cm³
• LogP: 2.91050
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

98% ^*data from raw suppliers

4-Chloro-2-fluoronitrobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

Technology Process of 4-Chloro-2-fluoro-1-nitrobenzene

There total 6 articles about 4-Chloro-2-fluoro-1-nitrobenzene 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:

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

Guidance literature:

With potassium fluoride; tetramethlyammonium chloride; In sulfolane; at 170 ℃; for 4h; Product distribution / selectivity;

Reference yield:

2,4-dichloronitrobenzene (611-06-3) → 4-chloro-2-fluoro-nitrobenzene (700-37-8)

Guidance literature:

With potassium fluoride; tetramethlyammonium chloride; In malononitrile; at 170 ℃; for 4h; Product distribution / selectivity;

upstream raw materials:

2,4-dichloronitrobenzene

3,4-dinitro-chlorobenzene

3-chlorofluorobenzene

Downstream raw materials:

5-chloro-2-nitro-N-propylaniline

(1-Benzyl-pyrrolidin-3-yl)-(5-chloro-2-nitro-phenyl)-amine

N-cyclohexyl-2-nitro-5-chloro-aniline

N-(5-Chloro-2-nitrophenyl)-N',N'-dimethylethylenediamine

Refernces

• 1、 -. "Use of nitriles as polar aprotic solvents". Page 5. . Retrieved 2008/06/13.
• 2、 Clark, James H.,Nightingale, David J.. "Methylhexamethylenetetramine fluoride dihydrate: A new fluorodenitration reagent". . p. 91 - 93. Retrieved 2007/10/03.