4-Chloro-2-iodoaniline

Base Information

• Chemical Name: 4-Chloro-2-iodoaniline
• CAS No.: 63069-48-7
• Molecular Formula: C6H5ClIN
• Molecular Weight: 253.47
• Hs Code.: 29214200
• European Community (EC) Number: 263-839-3
• DSSTox Substance ID: DTXSID00979005
• Nikkaji Number: J307.183I
• Wikidata: Q72452377
• Mol file: 63069-48-7.mol

Synonyms:4-Chloro-2-iodoaniline;63069-48-7;2-iodo-4-chloroaniline;4-Chloro-2-iodo-aniline;4-chloro-2-iodo-phenylamine;C6H5ClIN;4-chloro-2-iodophenylamine;Benzenamine, 4-chloro-2-iodo-;EINECS 263-839-3;MFCD01863737;4-chloro-6-iodoaniline;2-iodo-4-chloro-aniline;4-chloro-2-iodobenzenamine;C6-H5-Cl-I-N;SCHEMBL405858;4-Chloro-2-iodoaniline, 98%;DTXSID00979005;FLEJOBRWKBPUOX-UHFFFAOYSA-N;AKOS015855615;CS-W007471;PB21792;PS-7436;SY023185;AM20040908;C1800;FT-0618025;EN300-88613;A19796;AE-562/43460424;J-514950

Chemical Property of 4-Chloro-2-iodoaniline

Chemical Property:

• Appearance/Colour: amber solid
• Melting Point: 40 °C
• Boiling Point: 295 °C at 760 mmHg
• PKA: 1.90±0.10(Predicted)
• Flash Point: 132.2 °C
• PSA: 26.02000
• Density: 2.015 g/cm³
• LogP: 3.10800
• Storage Temp.: Refrigerated.
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• 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:

98% ^*data from raw suppliers

2-Iodo-4-chloroaniline 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; Xi; N
• Hazard Codes: Xi,N,T
• Statements: 20/21/22-36/37/38-51/53-41-37/38-25
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Chloro-2-iodoaniline

There total 12 articles about 4-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: 100.0%

4-chloro-aniline (106-47-8) → p-chloro-o-iodoaniline (63069-48-7)

Guidance literature:

With iodine; sodium hydrogencarbonate; potassium iodide; In water; for 3.75 - 5.75h;

Reference yield: 75.0%

4-chloro-aniline (106-47-8) → p-chloro-o-iodoaniline (63069-48-7) + 4-chloro-2,6-diiodoaniline (88149-53-5)

Guidance literature:

With hydrogenchloride; sodium iodine dichloride; In methanol; water; at 20 ℃; for 3h; pH=1 - 2;

DOI:10.1080/00304948.2016.1206425

Reference yield: 35.0%

copper diacetate (142-71-2) + 4-chloro-aniline (106-47-8) + acetic acid (64-19-7,77671-22-8) → p-chloro-o-iodoaniline (63069-48-7) + 4-chloro-2,6-diiodoaniline (88149-53-5) + N-(4-chloro-2-iodophenyl)acetamide (116035-66-6)

Guidance literature:

With iodine; at 120 ℃; for 12.5h;

DOI:10.1016/j.molstruc.2013.10.011

upstream raw materials:

4-chloro-aniline

N-(4-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide

N-(4-chloro-2-iodophenyl)acetamide

acetophenone

Downstream raw materials:

N-(4-chloro-2-iodophenyl)acetamide

4-chloro-2-iodothiophenol

α-chloro-β-(2-iodo-4-chlorophenyl)propionitrile

4-chloro-2-trimethylsilanylethynyl-phenylamine