2-Chloro-1-fluoro-4-iodobenzene

Base Information

• Chemical Name: 2-Chloro-1-fluoro-4-iodobenzene
• CAS No.: 156150-67-3
• Molecular Formula: C6H3ClFI
• Molecular Weight: 256.446
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID00369184
• Nikkaji Number: J600.820H
• Wikidata: Q82156224
• Mol file: 156150-67-3.mol

Synonyms:2-chloro-1-fluoro-4-iodobenzene;156150-67-3;3-Chloro-4-fluoroiodobenzene;1-chloro-2-fluoro-5-iodobenzene;3-chloro-4-fluoro-1-iodobenzene;Benzene, 2-chloro-1-fluoro-4-iodo-;MFCD00042210;1-fluoro-2-chloro-4-iodobenzene;2-chloro-1-fluoro-4-iodo-benzene;SCHEMBL80311;DTXSID00369184;2-chloro-1-fluoro -4-iodobenzene;3-Chloro-4-fluoroiodobenzene, 98%;AKOS009156592;AM86660;CS-W014080;PS-10246;SY061583;FT-0615393;EN300-97494;A809717

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

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.157mmHg at 25°C
• Refractive Index: n20/D 1.604(lit.)
• Boiling Point: 224.4 °C at 760 mmHg
• Flash Point: 89.5 °C
• PSA: 0.00000
• Density: 2.008 g/mL at 25 °C(lit.)
• LogP: 3.08370
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Light Sensitive
• Solubility.: Chloroform
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 255.89520
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

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

3-Chloro-4-fluoroiodobenzene 98% ^*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: C1=CC(=C(C=C1I)Cl)F
• Uses: 3-Chloro-4-Fluoroiodobenzene can be used as CDK2 inhibitors for enzyme inhibitory activity. 3-Chloro-4-fluoroiodobenzene may be used in the preparation of 2-chloro-1-(3,5-dimethoxyphenoxy)-4-iodobenzene by reacting with 3,5-dimethoxyphenol in the presence of cesium carbonate.

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

There total 3 articles about 2-Chloro-1-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: 86.0%

3-chloro-4-fluorophenylamine (367-21-5) → 3-chloro-4-fluoroiodobenzene (156150-67-3)

Guidance literature:

With N-iodo-succinimide; sodium nitrite; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1002/chem.201803347

Reference yield:

3-chloro-4-fluoronitrobenzene (350-30-1) → 3-chloro-4-fluoroiodobenzene (156150-67-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Fe, aq. NH₄Cl

2: (i) NaNO₂, aq. HCl, (ii) KI

With iron; ammonium chloride;

DOI:10.1021/ja00734a027

Reference yield:

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 3-chloro-4-fluoroiodobenzene (156150-67-3)

Guidance literature:

Multi-step reaction with 3 steps

1: Cl₂, FeCl₃

2: Fe, aq. NH₄Cl

3: (i) NaNO₂, aq. HCl, (ii) KI

With chlorine; iron(III) chloride; iron; ammonium chloride;

DOI:10.1021/ja00734a027

upstream raw materials:

3-chloro-4-fluorophenylamine

3-chloro-4-fluoronitrobenzene

4-Fluoronitrobenzene

Downstream raw materials:

fluorobenzene

1-chloro-2-fluorobenzene

benzene

(S)-2-(3-chloro-4-fluorophenyl)-1-phenylpropan-1-one

Refernces