2-Bromo-1-fluoro-4-nitrobenzene

Base Information

• Chemical Name: 2-Bromo-1-fluoro-4-nitrobenzene
• CAS No.: 701-45-1
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 219.998
• Hs Code.: 29049090
• European Community (EC) Number: 211-855-6
• DSSTox Substance ID: DTXSID30220375
• Nikkaji Number: J193.064H
• Wikidata: Q72456276
• Mol file: 701-45-1.mol

Synonyms:3-Bromo-4-fluoronitrobenzene;701-45-1;2-Bromo-1-fluoro-4-nitrobenzene;3-bromo-4-fluoro-1-nitrobenzene;1-bromo-2-fluoro-5-nitrobenzene;2-bromo-1-fluoro-4-nitro-benzene;Benzene, 2-bromo-1-fluoro-4-nitro-;MFCD00055433;EINECS 211-855-6;3-bromo-4-fluoronitrobezene;SCHEMBL431642;3-bromo-4-fluoro-nitrobenzene;2-bromo-1-fluoro4-nitro benzene;DTXSID30220375;1-Fluoro-2-bromo-4-nitrobenzene;2-bromo-1-fluoro-4-nitro benzene;AKOS005071017;AC-3040;CS-W007651;SB13084;2-Bromo-1-fluoro-4-nitrobenzene, 95%;BP-13103;SY003645;A9266;AM20041044;B2958;FT-0600937;2-Bromo-1-fluoro-4-nitrobenzene, AldrichCPR;EN300-91512;7P-057;W-104567

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

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.397mmHg at 25°C
• Melting Point: 55°C
• Refractive Index: 1.484
• Boiling Point: 250.6 °C at 760 mmHg
• Flash Point: 105.4 °C
• PSA: 45.82000
• Density: 1.808 g/cm³
• LogP: 3.01960
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 218.93312
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-1-fluoro-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)F
• Uses: Reatant in the synthesis of N-fused tricyclic indoles, dimethyamine, benzofuran.

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

There total 9 articles about 2-Bromo-1-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: 100.0%

o-fluorobromobenzene (1072-85-1) → 2-bromo-1-fluoro-4-nitrobenzene (701-45-1)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 16h;

DOI:10.1021/jo00324a015

Reference yield: 75.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 2-bromo-1-fluoro-4-nitrobenzene (701-45-1)

Guidance literature:

With sodium bromate; potassium sulfate; sulfuric acid; at 65 - 72 ℃; for 3.5h;

DOI:10.1021/jm051200u

Reference yield: 58.5%

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 4-Bromo-4-fluoronitrobenzene + 2-bromo-1-fluoro-4-nitrobenzene (701-45-1)

Guidance literature:

With bromine;

upstream raw materials:

4-Fluoronitrobenzene

o-fluorobromobenzene

6-fluoro-3-nitroaniline

iron

Downstream raw materials:

2-fluoro-5-nitro-1-<(trimethylsilyl)ethynyl>benzene

2-[(2-Bromo-4-nitro-phenyl)-methyl-amino]-ethanol

1-(2-fluoro-5-nitrophenyl)ethanone

(2-bromo-4-nitrophenyl)(isopropyl)sulfane

Refernces

• 1、 -. "NOVEL TRIAZINE COMPOUND, AND ORGANIC ELECTRONIC ELEMENT AND PLANT-GROWING LIGHTING THAT USE THE SAME". Paragraph 0088. . Retrieved 2018/07/28.
• 2、 Mishina, Maria S.,Ivanov, Alexander Yu.,Lobanov, Pavel S.,Dar'In, Dmitrii V.. "A New Synthesis of 2-Aminoindoles and 6-Aminopyrrolo[3,2- d ]pyrimidines from π-Deficient 1,2-Dihaloarenes and Geminal Enediamines". supporting information. p. 2851 - 2862. Retrieved 2016/08/30.