4-Bromo-5-fluoro-2-nitrotoluene

Base Information

• Chemical Name: 4-Bromo-5-fluoro-2-nitrotoluene
• CAS No.: 224185-19-7
• Molecular Formula: C7H5BrFNO2
• Molecular Weight: 234.025
• Hs Code.: 29049090
• European Community (EC) Number: 625-785-2
• DSSTox Substance ID: DTXSID70381414
• Wikidata: Q72456309
• Mol file: 224185-19-7.mol

Synonyms:4-Bromo-5-fluoro-2-nitrotoluene;224185-19-7;1-bromo-2-fluoro-4-methyl-5-nitrobenzene;4-BROMO-3-FLUORO-6-NITROTOLUENE;2-Nitro-4-Bromo-5-Fluorotoluene;Benzene, 1-bromo-2-fluoro-4-methyl-5-nitro-;MFCD04039299;1-bromo-2-fluoro-4-methyl-5-nitro-benzene;3-Bromo-4-fluoro-6-methylnitrobenzene;SCHEMBL451039;DTXSID70381414;MTTNTJRJOFVWSY-UHFFFAOYSA-N;AKOS015888465;AKOS025243443;AC-2354;CS-W007952;4-Bromo-5-fluoro-2-nitrotoluene, 97%;AS-15027;SY020679;AM20030384;FT-0644054;A19631;EN300-173908;W-206760

Chemical Property of 4-Bromo-5-fluoro-2-nitrotoluene

Chemical Property:

• Vapor Pressure: 0.0141mmHg at 25°C
• Melting Point: 59-63 °C
• Refractive Index: 1.57
• Boiling Point: 266.6 °C at 760 mmHg
• Flash Point: 115.1 °C
• PSA: 45.82000
• Density: 1.696 g/cm³
• LogP: 3.32800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 232.94877
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

99.9% ^*data from raw suppliers

4-Bromo-5-fluoro-2-nitrotoluene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Br)F

Technology Process of 4-Bromo-5-fluoro-2-nitrotoluene

There total 4 articles about 4-Bromo-5-fluoro-2-nitrotoluene 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%

4-bromo-3-fluorotoluene (452-74-4) → 3-bromo-4-fluoro-6-methylnitrobenzene (224185-19-7)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 20 ℃;

Reference yield: 91.0%

2-fluoro-4-methyl-5-nitro-phenylamine (259860-00-9) → 3-bromo-4-fluoro-6-methylnitrobenzene (224185-19-7)

Guidance literature:

2-fluoro-4-methyl-5-nitro-phenylamine; With hydrogen bromide; sodium nitrite; In water; at 0 - 5 ℃; for 0.25h;

With copper(I) oxide; hydrogen bromide; In water; at 0 ℃;

Reference yield: 83.0%

5-Fluoro-2-nitrotoluene (446-33-3) → 3-bromo-4-fluoro-6-methylnitrobenzene (224185-19-7)

Guidance literature:

With sulfuric acid; bromine; silver nitrate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

upstream raw materials:

4-bromo-3-fluorotoluene

copper(I) bromide

2-fluoro-4-methyl-5-nitro-phenylamine

5-Fluoro-2-nitrotoluene

Downstream raw materials:

6-bromo-5-fluoro-1H-indole

[2-(4-bromo-5-fluoro-2-nitro-phenyl)-vinyl]-dimethyl-amine

2-amino-4-bromo-5-methoxybenzoic acid

5-bromo-4-(2,4-difluorophenoxy)-2-methylaniline

Refernces

• 1、 -. "HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES". Paragraph 000891. . Retrieved 2016/05/02.
• 2、 -. "3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS". Page/Page column 76. . Retrieved 2008/12/06.