Acetyl iodide

Base Information

• Chemical Name: Acetyl iodide
• CAS No.: 507-02-8
• Molecular Formula: C2H3 I O
• Molecular Weight: 169.95
• Hs Code.: 2915900090
• European Community (EC) Number: 208-062-2
• UN Number: 1898
• UNII: JAL3KV9I1O
• DSSTox Substance ID: DTXSID0060141
• Nikkaji Number: J2.612C
• Wikipedia: Acetyl_iodide
• Wikidata: Q421152
• Mol file: 507-02-8.mol

Synonyms:ACETYL IODIDE;507-02-8;UNII-JAL3KV9I1O;UN1898;JAL3KV9I1O;EINECS 208-062-2;UN 1898;acetyliodid;Yoduro de acetilo;acetic acid iodide;MFCD00039399;C2H3IO;ACETYL IODIDE [MI];SCHEMBL35384;DTXSID0060141;C2-H3-I-O;NA1898;STL453667;AKOS009031394;UN-1898;Acetyl iodide [UN1898] [Corrosive];A0095;FT-0632249;D88212;Q421152

Chemical Property of Acetyl iodide

Chemical Property:

• Vapor Pressure: 29.5mmHg at 25°C
• Refractive Index: nD20 1.5491
• Boiling Point: 105.5°Cat760mmHg
• Flash Point: 17.6°C
• PSA: 17.07000
• Density: 2.193g/cm³
• LogP: 0.96790
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 169.92286
• Heavy Atom Count: 4
• Complexity: 33
• Transport DOT Label: Corrosive

Purity/Quality:

98%min ^*data from raw suppliers

Acetyl Iodide >95.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Strong irritant to eyes and skin.
• Hazard Codes: Strong irritant to eyes and skin.
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CC(=O)I
• Description: Acetyl iodide is a colourless, fuming liquid with a pungent odour. It is soluble in benzene and ether. Acetyl iodide is toxic, corrosive, and reacts with water or steam to produce toxic and corrosive fumes. The vapours of acetyl iodide are irritating to the eyes and mucous membranes. Vapour causes pulmonary oedema. It is corrosive to metals and skin. Acetyl iodide turns brown on exposure to air as it reacts exothermically with moisture in the air to give hydrogen iodide (hydroiodic acid), a strong irritant. It decomposes in water to give acidic products. Inhalation, ingestion, or contact of the skin and the eyes with vapours, dusts, or substance may cause severe injury, burns, or death. Contact with molten form of acetyl iodide causes severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive, or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive, and/ or toxic gases. Run-off from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Technology Process of Acetyl iodide

There total 27 articles about Acetyl iodide 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%

Isopropyl acetate (108-21-4) → acetyl iodide (507-02-8)

Guidance literature:

With diiodosilane; iodine; In chloroform-d1; at 50 ℃; for 15h;

DOI:10.1021/jo00299a042

Reference yield: 95.0%

acetic acid methyl ester (79-20-9) → acetyl iodide (507-02-8) + trimethylsilyl acetate (2754-27-0)

Guidance literature:

With trimethylsilyl iodide; iodine; In chloroform-d1; at 50 ℃; for 2h;

DOI:10.1021/jo00299a042

Reference yield: 94.0%

acetic acid butyl ester (123-86-4) → acetyl iodide (507-02-8) + trimethylsilyl acetate (2754-27-0)

Guidance literature:

With trimethylsilyl iodide; iodine; In chloroform-d1; at 50 ℃; for 2h;

DOI:10.1021/jo00299a042

upstream raw materials:

Ketene

Isopropenyl acetate

potassium acetate

acetic anhydride

Downstream raw materials:

4-iodobutyl acetate

2-Acetylthiophene

1-acetylindazole

1,2-Dimethylindazolium iodide

Refernces

• 1、 Li, Fengbo,Chen, Bingfeng,Huang, Zhijun,Lu, Tao,Yuan, Yin,Yuan, Guoqing. "Sustainable catalysts for methanol carbonylation". . p. 1600 - 1607. Retrieved 2013.
• 2、 Belsner, Klaus,Hoffmann, H. M. R.. "2-Iodoethyl Esters from Acyl Chlorides, Ethylene Oxide, and Sodium Iodide". . p. 239 - 240. Retrieved 1982.
• 3、 Nagib, David A.,Rafferty, Sean M.,Rutherford, Joy E.,Wang, Lu,Zhang, Lumin. "Cross-Selective Aza-Pinacol Coupling via Atom Transfer Catalysis". supporting information. p. 5622 - 5628. Retrieved 2021/05/07.
• 4、 Munyemana, Fran?ois,George, Isabelle,Devos, Alain,Colens, Alain,Badarau, Eduard,Frisque-Hesbain, Anne-Marie,Loudet, Aurore,Differding, Edmond,Damien, Jean-Marie,Rémion, Jeanine,Van Uytbergen, Jacqueline,Ghosez, Léon. "A mild method for the replacement of a hydroxyl group by halogen. 1. Scope and chemoselectivity". . p. 420 - 430. Retrieved 2015/12/31.