2-Chloro-3-fluoronitrobenzene

Base Information

• Chemical Name: 2-Chloro-3-fluoronitrobenzene
• CAS No.: 21397-07-9
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.547
• Hs Code.: 2904909090
• European Community (EC) Number: 244-365-6
• UNII: 79J6SA7GHB
• DSSTox Substance ID: DTXSID70175658
• Nikkaji Number: J226.193F
• Wikidata: Q72450959
• Mol file: 21397-07-9.mol

Synonyms:2-Chloro-3-fluoronitrobenzene;21397-07-9;2-Chloro-1-fluoro-3-nitrobenzene;1-chloro-2-fluoro-6-nitrobenzene;Benzene, 2-chloro-1-fluoro-3-nitro-;79J6SA7GHB;MFCD04112549;2-chloro-1-fluoro-3-nitro-benzene;EINECS 244-365-6;fluoro(chloro)nitrobenzene;UNII-79J6SA7GHB;2-chloro-1-fluoronitro-benzene;SCHEMBL3724150;DTXSID70175658;1-Nitro-2-chloro-3-fluorobenzene;AKOS005063590;AKOS006344773;AC-9687;DS-12214;SY030401;A4611;AM20030343;CS-0007576;FT-0601445;EN300-1693026;J-508657

Chemical Property of 2-Chloro-3-fluoronitrobenzene

Chemical Property:

• Vapor Pressure: 0.0503mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 243.3°C at 760 mmHg
• Flash Point: 101 °C
• PSA: 45.82000
• Density: 1.494 g/cm³
• LogP: 2.91050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• 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%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-fluoronitrobenzene

There total 6 articles about 2-Chloro-3-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: 79.8%

3-fluoro-1-nitrobenzene (402-67-5) → 2-chloro-3-fluoro-nitrobenzene (21397-07-9)

Guidance literature:

With hexachloroethane; lithium tert-butoxide; In N,N-dimethyl-formamide; at 60 ℃; for 4h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.bmcl.2017.06.007

Reference yield:

2,4-dichloronitrobenzene (611-06-3) → 2,4-Difluoronitrobenzene (446-35-5) + 2-chloro-3-fluoro-nitrobenzene (21397-07-9)

Guidance literature:

With KF;

Reference yield:

2,3-dinitroaniline (602-03-9) → 2-chloro-3-fluoro-nitrobenzene (21397-07-9)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) NaBF₄, (iii) (heating);

DOI:10.1021/jm00301a063

upstream raw materials:

2,3-dinitroaniline

2-fluoro-6-nitroaniline

N-(2-fluorophenyl)acetamide

N-(2-fluoro-6-nitrophenyl)acetamide

Downstream raw materials:

2-fluoro-6-nitroaniline

7-chloro-6-fluoroindole

[(2-fluoro-6-nitrophenyl)sulfanyl]acetic acid

C₁₀H₁₂FN₃O₂

Refernces

• 1、 -. "Preparation method of 2 - fluorine -6 - nitroaniline". Paragraph 0019-0021; 0025-0027; 0029-0031. . Retrieved 2021/09/08.
• 2、 Guilarte, Veronica,Castroviejo, M. Pilar,Garcia-Garcia, Patricia,Fernandez-Rodriguez, Manuel A.,Sanz, Roberto. "Approaches to the synthesis of 2,3-dihaloanilines. Useful precursors of 4-functionalized-1 H-indoles". experimental part. p. 3416 - 3437. Retrieved 2011/06/28.