5-Chloro-2-iodoaniline

Base Information

• Chemical Name: 5-Chloro-2-iodoaniline
• CAS No.: 6828-35-9
• Molecular Formula: C6H5ClIN
• Molecular Weight: 253.47
• Hs Code.: 29214200
• European Community (EC) Number: 614-394-2
• DSSTox Substance ID: DTXSID30348664
• Nikkaji Number: J1.346.238K
• Wikidata: Q72452373
• Mol file: 6828-35-9.mol

Synonyms:5-chloro-2-iodoaniline;6828-35-9;benzenamine, 5-chloro-2-iodo-;5-Chloro-2-iodo-phenylamine;5-chloro-2-iodobenzenamine;MFCD06738960;5-Chloro-2-Iodoaniline 97%;5-chloro-2-iodophenylamine;2-Iodo-5-chloroaniline;SCHEMBL669972;5-Chloro-2-iodoaniline, 97%;DTXSID30348664;AKOS015855617;AB28269;AC-3728;AM62076;CS-W007498;SY049514;C2239;FT-0658874;EN300-88610;4P-037;A19797

Chemical Property of 5-Chloro-2-iodoaniline

Chemical Property:

• Vapor Pressure: 0.00149mmHg at 25°C
• Melting Point: 40-42°C
• Refractive Index: 1.694
• Boiling Point: 295.8 °C at 760 mmHg
• PKA: 1.48±0.10(Predicted)
• Flash Point: 132.7 °C
• PSA: 26.02000
• Density: 2.015g/cm³
• LogP: 3.10800
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 252.91552
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-2-iodoaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 25-37/38-41-52/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N)I

Technology Process of 5-Chloro-2-iodoaniline

There total 9 articles about 5-Chloro-2-iodoaniline 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: 90.0%

4-chloro-2-nitroiodobenzene (5446-05-9) → 5-chloro-2-iodoaniline (6828-35-9)

Guidance literature:

With iron; acetic acid; In ethanol; Heating;

DOI:10.1016/j.tetlet.2004.09.113

Reference yield: 89.0%

3-chloro-aniline (108-42-9) → 5-chloro-2-iodoaniline (6828-35-9)

Guidance literature:

With pyridinium iodochloride; In methanol; for 1h; Heating;

DOI:10.1080/00397910801989659

Reference yield: 30.0%

copper diacetate (142-71-2) + acetic acid (64-19-7,77671-22-8) + 3-chloro-aniline (108-42-9) → C6H4ClI2N + 5-chloro-2-iodoaniline (6828-35-9) + N-(5-chloro-2-iodophenyl)acetamide (14091-36-2)

Guidance literature:

With iodine; at 120 ℃; for 12.5h;

DOI:10.1016/j.molstruc.2013.10.011

upstream raw materials:

4-chloro-2-nitroiodobenzene

3-chloro-aniline

4-Chloro-2-nitroaniline

5-chloro-2-iodoaniline hydrochloride

Downstream raw materials:

2-iodo-5-chlorophenol

tert-butyl (5-chloro-2-iodophenyl)carbamate

(5-chloro-2-iodo-phenyl)-(4-methoxybenzyl)-amine

5-chloro-2-(phenylethynyl) aniline