4-Bromo-2-ethyl-1-iodobenzene

Base Information

• Chemical Name: 4-Bromo-2-ethyl-1-iodobenzene
• CAS No.: 175278-30-5
• Molecular Formula: C8H8BrI
• Molecular Weight: 310.96
• Hs Code.: 2903999090
• European Community (EC) Number: 681-394-7
• DSSTox Substance ID: DTXSID20375742
• Wikidata: Q82164407
• Mol file: 175278-30-5.mol

Synonyms:4-bromo-2-ethyl-1-iodobenzene;175278-30-5;4-Bromo-2-ethyliodobenzene;Benzene, 4-bromo-2-ethyl-1-iodo-;5-Bromo-2-iodo-1-ethylbenzene;MFCD00221458;4-bromo-2-ethyl-1-iodo-benzene;4-bromo-2-ethyl-iodobenzene;SCHEMBL515201;1-iodo-2-ethyl-4-bromobenzene;DTXSID20375742;JWKQXPHYKRQLEJ-UHFFFAOYSA-N;4-bromanyl-2-ethyl-1-iodanyl-benzene;AKOS015890181;FS-4168;SY021073;CS-0134947;FT-0643699;EN300-706184;F20978;A812053

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

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.00513mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 284.4 °C at 760 mmHg
• Flash Point: 125.8 °C
• PSA: 0.00000
• Density: 1.937 g/cm³
• LogP: 3.61610
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 309.88541
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-ethyliodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=CC(=C1)Br)I

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

There total 2 articles about 4-Bromo-2-ethyl-1-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:

4-bromo-2-ethylaniline (45762-41-2) → 1-iodo-2-ethyl-4-bromobenzene (175278-30-5)

Guidance literature:

4-bromo-2-ethylaniline; With sulfuric acid; In water; at 60 ℃; for 1h;

With sodium nitrite; In water; at 0 - 20 ℃; for 0.75h;

With potassium iodide; In water; at 80 ℃;

Reference yield:

→ 1-iodo-2-ethyl-4-bromobenzene (175278-30-5)

Guidance literature:

With toluene-4-sulfonic acid; In acetonitrile; at 20 ℃; for 4h;

With potassium iodide; sodium nitrite; In water; acetonitrile; at 0 ℃; for 1h;

Reference yield: 95.0%

1-iodo-2-ethyl-4-bromobenzene (175278-30-5) + ethenyltrimethylsilane (754-05-2) → 4-bromo-2-ethyl-1-vinylbenzene (943741-44-4)

Guidance literature:

With potassium fluoride; tetrabutyl-ammonium chloride; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 170 ℃; for 0.75h; Molecular sieve;

DOI:10.1016/j.bmcl.2017.04.008

upstream raw materials:

4-bromo-2-ethylaniline

Downstream raw materials:

4-bromo-2-ethylphenylboronic acid

4-bromo-2,6-diethylphenylboronic acid

4-bromo-2-ethylbenzaldehyde

(4-bromo-2-ethyl-phenyl)(furan-2-yl)methanol