5-Bromo-2-iodotoluene

Base Information

• Chemical Name: 5-Bromo-2-iodotoluene
• CAS No.: 116632-39-4
• Molecular Formula: C7H6BrI
• Molecular Weight: 296.933
• Hs Code.: 29039990
• European Community (EC) Number: 629-570-4
• DSSTox Substance ID: DTXSID60369180
• Nikkaji Number: J2.638.934H
• Wikidata: Q72457677
• Mol file: 116632-39-4.mol

Synonyms:5-Bromo-2-iodotoluene;116632-39-4;4-bromo-1-iodo-2-methylbenzene;Benzene, 4-bromo-1-iodo-2-methyl-;MFCD00060664;Bromoiodotoluene;1-bromo-4-iodo-5-methylbenzene;5-Bromo-2-Iodomethylbenzene;2-iodo-5-bromo-toluene;5-bromo-2-iodo toluene;4-Bromo-2-methyliodobenzene;4-bromo-2-methyl-iodobenzene;SCHEMBL332319;5-Bromo-2-iodotoluene, 98%;4-bromo-l-iodo-2-methylbenzene;5-bromo-2-iodo-1-methylbenzene;DTXSID60369180;GHTUADBHTFHMNI-UHFFFAOYSA-N;AKOS005258093;CS-W007612;GS-6716;SY017478;B2069;FT-0620099;FT-0653670;EN300-136109;H10164;A803654;Z1269231220

Chemical Property of 5-Bromo-2-iodotoluene

Chemical Property:

• Appearance/Colour: clear slightly yellow to light red-pink liquid
• Vapor Pressure: 0.0161mmHg at 25°C
• Refractive Index: n20/D 1.65(lit.)
• Boiling Point: 264.172 °C at 760 mmHg
• Flash Point: 113.568 °C
• PSA: 0.00000
• Density: 2.062 g/cm³
• LogP: 3.36210
• Storage Temp.: Room temperature.
• Sensitive.: Light Sensitive
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 295.86976
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-1-iodo-2-methylbenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Br)I
• Uses: 5-Bromo-2-iodotoluene is used as a medical intermediate and in organic synthesis.

Technology Process of 5-Bromo-2-iodotoluene

There total 6 articles about 5-Bromo-2-iodotoluene 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-methylaniline (583-75-5) → 2-methyl-4-bromoiodobenzene (116632-39-4)

Guidance literature:

Diazotization_.Behandlung der Diazoniumloesung mit Jodwasserstoffsaeure;

Reference yield:

1,4-bromoiodobenzene (589-87-7) + 3-(4-bromophenyl)prop-2-yn-1-ol (37614-58-7) → 2-methyl-4-bromoiodobenzene (116632-39-4) + 1-bromo-4-iodo-2,5-dimethylbenzene (699119-05-6)

Guidance literature:

Reference yield:

ortho-methylphenyl iodide (615-37-2) → 2-methyl-4-bromoiodobenzene (116632-39-4)

Guidance literature:

With iron; durch Bromieren;

upstream raw materials:

ortho-methylphenyl iodide

4-Bromo-2-methylaniline

N-(2-methylphenyl)acetamide

1,4-bromoiodobenzene

Downstream raw materials:

3-(4-bromo-2-methyl-phenyl)-propionaldehyde

4-bromo-2-methyl-1-vinylbenzene

C₁₉H₂₂BBrO₂

C₁₉H₂₁BBr₂O₂

Refernces

• 1、 -. "IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS". Page/Page column 75; 85; 86. . Retrieved 2016/04/20.