5-Fluoro-1,2,3-tribromobenzene

Base Information

• Chemical Name: 5-Fluoro-1,2,3-tribromobenzene
• CAS No.: 576-82-9
• Molecular Formula: C6H2Br3F
• Molecular Weight: 332.79
• Hs Code.: 2903999090
• European Community (EC) Number: 611-566-9
• DSSTox Substance ID: DTXSID10206233
• Wikidata: Q83079997
• Mol file: 576-82-9.mol

Synonyms:5-Fluoro-1,2,3-tribromobenzene;1,2,3-tribromo-5-fluorobenzene;576-82-9;3,4,5-TRIBROMOFLUOROBENZENE;starbld0017815;SCHEMBL12754484;DTXSID10206233;AKOS015890143;1,2,3-Tribromo-5-fluorobenzene,99+%;FT-0620385;A831552

Chemical Property of 5-Fluoro-1,2,3-tribromobenzene

Chemical Property:

• Vapor Pressure: 0.0092mmHg at 25°C
• Melting Point: 98-100 °C
• Refractive Index: 1.61
• Boiling Point: 274.2 °C at 760 mmHg
• Flash Point: 119.6 °C
• PSA: 0.00000
• Density: 2.34 g/cm³
• LogP: 4.11320
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 331.76702
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%min ^*data from raw suppliers

5-FLUORO-1,2,3-TRIBROMOBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)Br)Br)F

Technology Process of 5-Fluoro-1,2,3-tribromobenzene

There total 3 articles about 5-Fluoro-1,2,3-tribromobenzene 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: 27.0%

4-fluoroaniline (371-40-4) → 1,2,3-tribromo-5-fluorobenzene (576-82-9)

Guidance literature:

4-fluoroaniline; With bromine; In acetonitrile; at 50 ℃; for 1h; Inert atmosphere;

With tert.-butylnitrite; In acetonitrile; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.macromol.5b01249

Reference yield:

3,4,5-tribromoaniline (609-16-5) → 1,2,3-tribromo-5-fluorobenzene (576-82-9)

Guidance literature:

With hydrogenchloride; tetrafluoroboric acid; sodium nitrite; Erhitzen des Reaktionsprodukts auf 198grad;

Reference yield:

2,6-dibromo-4-fluoroaniline (344-18-3) → 1,2,3-tribromo-5-fluorobenzene (576-82-9)

Guidance literature:

With hydrogenchloride; hydrogen bromide; copper(I) bromide; sodium nitrite;

upstream raw materials:

3,4,5-tribromoaniline

2,6-dibromo-4-fluoroaniline

4-fluoroaniline

Refernces