4-Iodo-3-methylphenol

Base Information

• Chemical Name: 4-Iodo-3-methylphenol
• CAS No.: 133921-27-4
• Molecular Formula: C7H7IO
• Molecular Weight: 234.036
• Hs Code.: 2908199090
• European Community (EC) Number: 853-909-7
• DSSTox Substance ID: DTXSID70439641
• Nikkaji Number: J2.449.064E
• Wikidata: Q82255649
• Mol file: 133921-27-4.mol

Synonyms:4-Iodo-3-methylphenol;133921-27-4;4-iodo-3-methyl-phenol;3-METHYL-4-IODOPHENOL;Phenol, 4-iodo-3-methyl-;MFCD09029708;Phenol, 3-methyl-4-iodo;SCHEMBL1808249;DTXSID70439641;CL8494;AKOS015853792;CS-W019258;GS-4312;MB06793;AC-17634;SY110129;FT-0687049;EN300-206174;W-205432;Z1269160508

Chemical Property of 4-Iodo-3-methylphenol

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 276.673°C at 760 mmHg
• PKA: 9.46±0.18(Predicted)
• Flash Point: 121.128°C
• PSA: 20.23000
• Density: 1.854g/cm³
• LogP: 2.30520
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 233.95416
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

97% ^*data from raw suppliers

4-Iodo-3-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)I

Technology Process of 4-Iodo-3-methylphenol

There total 5 articles about 4-Iodo-3-methylphenol 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: 89.0%

3-methyl-phenol (108-39-4) → 4-iodo-3-methyl-phenol (133921-27-4)

Guidance literature:

With triphenyl benzyl phosphonium perchlorate; potassium iodide; In acetonitrile; for 0.45h; regioselective reaction; Reflux;

DOI:10.1016/j.cclet.2011.12.010

Reference yield: 47.0%

4-amino-3-methylphenol (2835-99-6) → 4-iodo-3-methyl-phenol (133921-27-4)

Guidance literature:

4-amino-3-methylphenol; With hydrogenchloride; sodium nitrite; In tetrahydrofuran; water; at 0 ℃;

With potassium iodide; In tetrahydrofuran; water; at 0 ℃; for 0.25h;

Reference yield:

3-methyl-phenol (108-39-4) → 4,6-diiodo-3-methyl-phenol (102154-03-0) + 2-iodo-3-methyl-phenol (1243471-41-1) + 2,4,6-triiodo-3-methyl-phenol (2109-12-8) + 2,4-diiodo-3-methyl-phenol (1403775-52-9) + 6-iodo-3-methyl-phenol (35928-80-4) + 2,6-diiodo-3-methyl-phenol (60577-32-4) + 4-iodo-3-methyl-phenol (133921-27-4)

Guidance literature:

With iodine; In aq. buffer; pH=Ca. 9;

DOI:10.1134/S1070427212090108

upstream raw materials:

4-amino-3-methylphenol

3-methyl-phenol

Downstream raw materials:

4-iodo-3-methylphenol acetate

AN₂₇₂₈

4-(4-cyanophenoxy)-2-methylphenylboronic acid

4-hydroxy-2-methylbenzoic acid methyl ester