4-Bromo-2-fluoro-6-nitrotoluene

Base Information

• Chemical Name: 4-Bromo-2-fluoro-6-nitrotoluene
• CAS No.: 502496-34-6
• Molecular Formula: C7H5BrFNO2
• Molecular Weight: 234.025
• Hs Code.: 2904909090
• European Community (EC) Number: 800-341-2
• DSSTox Substance ID: DTXSID30378426
• Wikidata: Q72456304
• Mol file: 502496-34-6.mol

Synonyms:4-Bromo-2-fluoro-6-nitrotoluene;502496-34-6;5-bromo-1-fluoro-2-methyl-3-nitrobenzene;5-bromo-1-fluoro-2-methyl-3-nitro-benzene;MFCD03094190;SCHEMBL561463;DTXSID30378426;QZUIGBPWEFMEEV-UHFFFAOYSA-N;CL8837;AKOS015920368;AM61556;CS-W004960;AS-18880;SY025582;FT-0725943;Benzene, 5-bromo-1-fluoro-2-methyl-3-nitro-;A828024

Chemical Property of 4-Bromo-2-fluoro-6-nitrotoluene

Chemical Property:

• Boiling Point: 261.7 °C at 760 mmHg
• Flash Point: 112.1 °C
• PSA: 45.82000
• Density: 1.696g/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:

98% ^*data from raw suppliers

4-Bromo-2-fluoro-6-nitrotoluene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1F)Br)[N+](=O)[O-]

Technology Process of 4-Bromo-2-fluoro-6-nitrotoluene

There total 3 articles about 4-Bromo-2-fluoro-6-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:

5-bromo-2-methyl-3-nitroaniline (864550-40-3) → 5-bromo-1-fluoro-2-methyl-3-nitrobenzene (502496-34-6)

Guidance literature:

With tert.-butylnitrite; boron trifluoride diethyl etherate; In tetrahydrofuran; dichloromethane; at -10 - 0 ℃; for 1.5h;

Reference yield:

2,6-dinitrotoluene (606-20-2) → 5-bromo-1-fluoro-2-methyl-3-nitrobenzene (502496-34-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione / 2 h / 20 °C

2: diammonium sulfide; pyridine / water; ethanol / 1 h

3: tert.-butylnitrite; boron trifluoride diethyl etherate / dichloromethane; tetrahydrofuran / 1.5 h / -10 - 0 °C

With pyridine; diammonium sulfide; tert.-butylnitrite; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sulfuric acid; boron trifluoride diethyl etherate; In tetrahydrofuran; ethanol; dichloromethane; water;

Reference yield:

5-bromo-2-methyl-1,3-dinitrobenzene (95192-64-6) → 5-bromo-1-fluoro-2-methyl-3-nitrobenzene (502496-34-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diammonium sulfide; pyridine / water; ethanol / 1 h

2: tert.-butylnitrite; boron trifluoride diethyl etherate / dichloromethane; tetrahydrofuran / 1.5 h / -10 - 0 °C

With pyridine; diammonium sulfide; tert.-butylnitrite; boron trifluoride diethyl etherate; In tetrahydrofuran; ethanol; dichloromethane; water;

upstream raw materials:

2,6-dinitrotoluene

5-bromo-2-methyl-1,3-dinitrobenzene

5-bromo-2-methyl-3-nitroaniline

Downstream raw materials:

2-amino-4-bromo-6-fluorobenzoic acid

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