1,2-Dichloro-3-iodobenzene

Base Information

• Chemical Name: 1,2-Dichloro-3-iodobenzene
• CAS No.: 2401-21-0
• Molecular Formula: C6H3Cl2I
• Molecular Weight: 272.9
• Hs Code.: 29039990
• European Community (EC) Number: 219-276-0
• DSSTox Substance ID: DTXSID50178743
• Nikkaji Number: J80.474F
• Wikidata: Q72466539
• Mol file: 2401-21-0.mol

Synonyms:1,2-Dichloro-3-iodobenzene;2401-21-0;2,3-Dichloroiodobenzene;Benzene, dichloroiodo-;Dichloroiodobenzene;EINECS 219-276-0;Benzene, 1,2-dichloro-3-iodo-;2,3-Dichloro-1-iodobenzene;MFCD00001034;2,3-dichloro iodobenzene;benzene, 1,2-dichloro-3-iodo;2,3-dichloro-iodobenzene;SCHEMBL78375;DTXSID50178743;AMY31903;AKOS009156903;AC-5717;CS-W014026;AS-40307;SY017565;D1434;FT-0609566;FT-0654633;EN300-139431;A817036;W-107359;Z381540840

Chemical Property of 1,2-Dichloro-3-iodobenzene

Chemical Property:

• Appearance/Colour: white to light yellow crystal
• Vapor Pressure: 0.0537mmHg at 25°C
• Melting Point: 35-36 °C(lit.)
• Refractive Index: 1.642
• Boiling Point: 242.1 °C at 760 mmHg
• Flash Point: 114.6 °C
• PSA: 0.00000
• Density: 2.015 g/cm³
• LogP: 3.59800
• Storage Temp.: 0-10°C
• Sensitive.: Light Sensitive
• Solubility.: very faint turbidity in Methanol
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 271.86565
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98% ^*data from raw suppliers

1,2-Dichloro-3-iodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-24/25-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=C(C(=C1)I)Cl)Cl

Technology Process of 1,2-Dichloro-3-iodobenzene

There total 5 articles about 1,2-Dichloro-3-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: 78.0%

C15H21Cl2MgN → 1,2-Dichloro-3-iodobenzene (2401-21-0)

Guidance literature:

C₁₅H₂₁Cl₂MgN; With zinc(II) chloride; In tetrahydrofuran; for 0.25h; Inert atmosphere;

With trifuran-2-yl-phosphane; iodine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere;

DOI:10.1002/adsc.201300185

Reference yield: 72.0%

1,2-dichloro-benzene (95-50-1) → 1,2-Dichloro-3-iodobenzene (2401-21-0)

Guidance literature:

1,2-dichloro-benzene; With Li(2,2,6,6-tetramethylpiperidide)*Al(ⁱBu)₃; In tetrahydrofuran; hexane; at -78 ℃; for 5h;

With iodine; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

DOI:10.1021/ja0473236

Reference yield: 72.0%

iodobenzene (591-50-4) → 1,2-Dichloro-3-iodobenzene (2401-21-0)

Guidance literature:

With hydrogenchloride; sodium hypochlorite; Darkness;

DOI:10.1039/c4dt02627f

upstream raw materials:

2,3-dichloroaniline

1,2-dichloro-benzene

iodobenzene

Downstream raw materials:

2,2',3,3'-tetrachlorobiphenyl

1,2-dichloro-benzene

methyl (E)-3-(2,3-dichlorophenyl)acrylate

2,3,4'-trichlorobiphenyl