1-Chloro-2-fluoro-4-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-2-fluoro-4-nitrobenzene
• CAS No.: 350-31-2
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.547
• Hs Code.: 2904990090
• European Community (EC) Number: 206-500-7
• UNII: SMM4572B92
• DSSTox Substance ID: DTXSID20188531
• Nikkaji Number: J193.815K
• Wikidata: Q72450974
• Mol file: 350-31-2.mol

Synonyms:4-Chloro-3-fluoronitrobenzene;350-31-2;1-Chloro-2-fluoro-4-nitrobenzene;3-Fluoro-4-chloronitrobenzene;Benzene, 1-chloro-2-fluoro-4-nitro-;EINECS 206-500-7;CCRIS 9210;MFCD00215833;SMM4572B92;UNII-SMM4572B92;3-fluoro-4-chloro-nitrobenzene;SCHEMBL2590213;DTXSID20188531;AKOS005216704;AC-9690;AM61503;CS-W002522;GS-3648;SY017803;LS-188125;C2195;FT-0632007;EN300-66816;J-504497

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

Chemical Property:

• Vapor Pressure: 0.0599mmHg at 25°C
• Melting Point: 61 °C
• Refractive Index: 1.554
• Boiling Point: 240.1 °C at 760 mmHg
• Flash Point: 99 °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:

99% ^*data from raw suppliers

4-Chloro-3-fluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 8 articles about 1-Chloro-2-fluoro-4-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: 61.0%

2-fluoro-4-nitrophenol (403-19-0) → 1-chloro-2-fluoro-4-nitrobenzene (350-31-2)

Guidance literature:

With para-tert-butylphenol; phosphorus pentachloride; 1.) 130-140 deg C, 2 h, 2.) 230-240 deg C, 40 min;

DOI:10.1016/0040-4020(95)01073-4

Reference yield: 44.0%

4-chlorobenzonitrile (100-00-5) → 1-chloro-2-fluoro-4-nitrobenzene (350-31-2)

Guidance literature:

With formic acid; fluorine; at 10 ℃; for 1.75h;

DOI:10.1016/S0022-1139(99)00238-9

Reference yield:

1-chloro-2-fluorobenzene (348-51-6) → 3-chloro-4-fluoronitrobenzene (350-30-1) + 1-chloro-2-fluoro-4-nitrobenzene (350-31-2)

Guidance literature:

With nitric acid; at 0 ℃;

upstream raw materials:

1-chloro-2-fluorobenzene

4-chloro-3-fluoroaniline

2-fluoro-4-nitrophenol

nitric acid

Downstream raw materials:

1-(benzylsulfanyl)-2-fluoro-4-nitrobenzene

2-(2-fluoro-4-nitrophenoxy)ethan-1-ol

Refernces

• 1、 Chambers, Richard D.,Hutchinson, John,Sparrowhawk, Matthew E.,Sandford, Graham,Moilliet, John S.,Thomson, Julie. "Elemental fluorine Part 12. Fluorination of 1,4-disubstituted aromatic compounds". . p. 169 - 173. Retrieved 2007/10/03.
• 2、 Cervera,Marquet,Martin. "Charge control in the S(N)Ar reaction. Meta substitution with respect to the activating nitro group in 3,4-dihalogenonitrobenzenes". . p. 2557 - 2564. Retrieved 2007/10/03.