1-Bromo-2-fluoro-4-iodobenzene

Base Information

• Chemical Name: 1-Bromo-2-fluoro-4-iodobenzene
• CAS No.: 136434-77-0
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.897
• Hs Code.: 29039990
• European Community (EC) Number: 626-381-9
• DSSTox Substance ID: DTXSID60369327
• Nikkaji Number: J962.137G
• Wikidata: Q72456061
• Mol file: 136434-77-0.mol

Synonyms:1-Bromo-2-fluoro-4-iodobenzene;136434-77-0;4-Bromo-3-fluoroiodobenzene;3-fluoro-4-bromoiodobenzene;Benzene, 1-bromo-2-fluoro-4-iodo-;MFCD00042577;3-fluoro-4-bromo-iodobenzene;1-bromo-2-fluoro-4-i;3-fluoro-4-bromo iodobenzene;1-bromo-2-fluoro-4-iodo-benzene;SCHEMBL205219;2-Fluoro-4-iodophenyl bromide;DTXSID60369327;4-Bromo-3-fluoroiodobenzene, 97%;AKOS005063893;AM61317;CS-W008092;SB33037;AC-26069;AS-15026;SY007783;B3017;FT-0617821;EN300-102002;J-504395;1-bromo-2-fluoro-4-iodobenzene

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

Chemical Property:

• Appearance/Colour: Pale brown crystalline low melting solid
• Vapor Pressure: 0.0651mmHg at 25°C
• Melting Point: 34-38 °C(lit.)
• Refractive Index: 1.628
• Boiling Point: 238.5 °C at 760 mmHg
• Flash Point: 98 °C
• PSA: 0.00000
• Density: 2.281 g/cm³
• LogP: 3.19280
• Storage Temp.: Room temperature.
• Sensitive.: Light Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 299.84469
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-52/53-36/37/38
• Safety Statements: 36-37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)F)Br

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

There total 9 articles about 1-Bromo-2-fluoro-4-iodobenzene 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:

2-fluro-4-iodoaniline (29632-74-4) → 4-bromo-3-fluoroiodobenzene (136434-77-0)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; Yield given; Multistep reaction; 1.) H₂O, 0 deg C, 30 min, 2.) H₂O, reflux, 15 min;

Reference yield:

copper bromide + 2-fluro-4-iodoaniline (29632-74-4) → 4-bromo-3-fluoroiodobenzene (136434-77-0)

Guidance literature:

With hydrogen bromide; acetic acid; sodium nitrite; In sulfuric acid; water;

Reference yield:

2-Fluoroaniline (348-54-9) → 4-bromo-3-fluoroiodobenzene (136434-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate; iodine / water / 1.5 h / 20 °C

2: copper(ll) bromide; n-Butyl nitrite / acetonitrile / 65 °C

With n-Butyl nitrite; iodine; sodium hydrogencarbonate; copper(ll) bromide; In water; acetonitrile;

DOI:10.1039/c3cc49313j

upstream raw materials:

3-fluoro-4-bromophenylamine

2-fluro-4-iodoaniline

2-Fluoroaniline

meta-fluoroaniline

Downstream raw materials:

1-bromo-2-fluoro-4-pent-1-ynylbenzene

3-bromo-2-fluoro-6-iodo-benzoic acid

3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one

C₁₃H₁₁BrN₄

Refernces

• 1、 -. "METALLO-BETA-LACTAMASE INHIBITORS". Page/Page column 46; 47. . Retrieved 2017/04/04.
• 2、 Glendenning, Margaret E.,Goodby, John W.,Hird, Michael,Toyne, Kenneth J.. "The synthesis and mesomorphic properties of 2,2′,3-tri- and 2,2′,3,3′-tetra-fluoro-1,1′:4′,1″-terphenyls for high dielectric biaxiality ferroelectric liquid crystal mixtures". . p. 481 - 491. Retrieved 2007/10/03.