Dichloroiodomethane

Base Information

• Chemical Name: Dichloroiodomethane
• CAS No.: 594-04-7
• Molecular Formula: CHCl2I
• Molecular Weight: 210.829
• DSSTox Substance ID: DTXSID7021570
• Nikkaji Number: J79.685I
• Wikidata: Q81983811
• Mol file: 594-04-7.mol

Synonyms:DICHLOROIODOMETHANE;dichloro(iodo)methane;594-04-7;Methane, dichloroiodo-;dichloro-iodo-methane;DCIM;CHCl2I;C-H-Cl2-I;SCHEMBL1037737;DTXSID7021570;HNLZCOJXSLDGKD-UHFFFAOYSA-N;AKOS030239765;HY-133642;LS-195263;CS-0128468;EN300-22043946

Chemical Property of Dichloroiodomethane

Chemical Property:

• Vapor Pressure: 13.2mmHg at 25°C
• Refractive Index: 1.5840
• Boiling Point: 128°Cat760mmHg
• Flash Point: 31.2°C
• PSA: 0.00000
• Density: 2.422g/cm³
• LogP: 2.18260
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 209.85000
• Heavy Atom Count: 4
• Complexity: 13.5

Purity/Quality:

99%, ^*data from raw suppliers

Dichloroiodomethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(Cl)(Cl)I
• Uses: Dichloroiodomethane was found as a disinfection byproducts in European drinking water.

Technology Process of Dichloroiodomethane

There total 3 articles about Dichloroiodomethane 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: 30.0%

iodoform (75-47-8) → diiodomethane (75-11-6) + dichloroiodomethane (594-04-7) + chlorodiiodomethane (638-73-3)

Guidance literature:

With mercury dichloride; at 130 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1016/S0043-1354(00)00079-8

Reference yield:

dichloromethane (75-09-2) + 1-iodo-1-hexyne (1119-67-1) → dichloroiodomethane (594-04-7) + 1,2-Diodo-1-hexene (74966-64-6) + hex-1-yne (693-02-7)

Guidance literature:

Product distribution; Mechanism; Ambient temperature; Irradiation; var. of time, var. of temp.;

DOI:10.1021/jo00158a029

Reference yield:

2-Iodothiophene (3437-95-4,149762-92-5) + dichloromethane (75-09-2) → thiophene (188290-36-0,8014-23-1,25233-34-5) + dichloroiodomethane (594-04-7)

Guidance literature:

at 25 ℃; for 10h; Concentration; Kinetics; Quantum yield; Photolysis;

DOI:10.1002/poc.1769

upstream raw materials:

dichloromethane

1-iodo-1-hexyne

iodoform

2-Iodothiophene

Downstream raw materials:

methylene chloride

Iodine monochloride

Trichloroethylene

carbon monoxide

Refernces

• 1、 Cancho, Beatriz,Ventura, Francesc,Galceran, Materesa,Diaz, Alfredo,Ricart, Susagna. "Determination, synthesis and survey of iodinated trihalomethanes in water treatment processes". . p. 3380 - 3390. Retrieved 2007/10/03.