3-Iodotoluene

Base Information

• Chemical Name: 3-Iodotoluene
• CAS No.: 625-95-6
• Molecular Formula: C7H7I
• Molecular Weight: 218.037
• Hs Code.: 29039990
• European Community (EC) Number: 210-918-5
• NSC Number: 3775
• UNII: 2H574IR35G
• DSSTox Substance ID: DTXSID5060809
• Nikkaji Number: J43.526K
• Wikidata: Q27254738
• Mol file: 625-95-6.mol

Synonyms:3-iodotoluene;m-iodotoluene;meta-iodotoluene;o-iodotoluene;p-iodotoluene

Chemical Property of 3-Iodotoluene

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.245mmHg at 25°C
• Melting Point: -27 °C
• Refractive Index: n20/D 1.604(lit.)
• Boiling Point: 212.999 °C at 760 mmHg
• Flash Point: 82.222 °C
• PSA: 0.00000
• Density: 1.706 g/cm³
• LogP: 2.59960
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Water Solubility.: Not miscible in water. Soluble in benzene, alcohol and ether.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 217.95925
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

99% ^*data from raw suppliers

3-Iodotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37/39-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)I
• Uses: suzuki reaction 3-Iodotoluene (1-Iodo-3-methylbenzene) was used in the preparartion of indene derivatives.

Technology Process of 3-Iodotoluene

There total 39 articles about 3-Iodotoluene 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: 81.0%

C6H4S2O4N(1-)*N2C6H5CH2(1+) → 3-Iodotoluene (625-95-6)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In acetonitrile; at 20 ℃; for 0.75h;

DOI:10.1021/jo9819537

Reference yield: 78.0%

1-m-tolyl-2-tosyldiazene (38676-16-3) → 3-Iodotoluene (625-95-6)

Guidance literature:

With 18-crown-6 ether; potassium iodide; In diethyl ether; acetonitrile; for 4h; Ambient temperature;

DOI:10.1021/jo00210a050

Reference yield: 77.0%

carbon monoxide (201230-82-2) + 1-iodyl-3-methylbenzene (16825-71-1) → 3-Iodotoluene (625-95-6) + m-Toluic acid (99-04-7)

Guidance literature:

With sodium tetrachloropalladate; sodium carbonate; In water; at 40 ℃; for 4.5h; Yields of byproduct given;

DOI:10.1021/jo00070a008

upstream raw materials:

1-amino-3-methylbenzene

m-tolylmagnesium bromide

1-m-tolyl-2-tosyldiazene

4-tolyl iodide

Downstream raw materials:

p-cresol

3-methyl-phenol

ortho-cresol

3'-methyl-[1,1'-biphenyl]-2-carboxylic acid

Refernces

• 1、 Jones, Dafydd D. L.,Douair, Iskander,Maron, Laurent,Jones, Cameron. "Photochemically Activated Dimagnesium(I) Compounds: Reagents for the Reduction and Selective C?H Bond Activation of Inert Arenes". supporting information. p. 7087 - 7092. Retrieved 2021/03/01.
• 2、 Klein, Philippe,Lechner, Vivien Denise,Schimmel, Tanja,Hintermann, Lukas. "Generation of Organozinc Reagents by Nickel Diazadiene Complex Catalyzed Zinc Insertion into Aryl Sulfonates". supporting information. p. 176 - 180. Retrieved 2019/12/11.