1,2,4-Trichloro-5-iodobenzene

Base Information

• Chemical Name: 1,2,4-Trichloro-5-iodobenzene
• CAS No.: 7145-82-6
• Molecular Formula: C6H2Cl3I
• Molecular Weight: 307.345
• Hs Code.: 2903999090
• European Community (EC) Number: 925-152-3
• NSC Number: 74997
• DSSTox Substance ID: DTXSID00291350
• Nikkaji Number: J776.081G
• Wikidata: Q72510270
• Mol file: 7145-82-6.mol

Synonyms:1,2,4-Trichloro-5-iodobenzene;7145-82-6;1-Iodo-2,4,5-Trichlorobenzene;2,4,5-Trichloroiodobenzene;NSC74997;Benzene,1,2,4-trichloro-5-iodo-;NCIOpen2_008547;SCHEMBL7594519;Benzene,2,4-trichloro-5-iodo-;DTXSID00291350;2,4,5-Trichloroiodobenzene, 98%;MFCD00051450;NSC 74997;NSC-74997;Benzene, 1,2,4-trichloro-5-iodo-;AKOS005258747;CS-0326563;FT-0607947;E89363;A837186

Chemical Property of 1,2,4-Trichloro-5-iodobenzene

Chemical Property:

• Vapor Pressure: 0.00314mmHg at 25°C
• Melting Point: 104-106 °C(lit.)
• Refractive Index: 1.651
• Boiling Point: 292.8 °C at 760 mmHg
• Flash Point: 130.9 °C
• PSA: 0.00000
• Density: 2.085 g/cm³
• LogP: 4.25140
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 305.82668
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

1,2,4-Trichloro-5-iodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)I)Cl)Cl
• Uses: 1,2,4-Trichloro-5-iodobenzene is used as a reagent in the synthesis of sterically hindered polychlorinated biphenyls (PCBs) via Suzuki and Ullmannn reactions.

Technology Process of 1,2,4-Trichloro-5-iodobenzene

There total 12 articles about 1,2,4-Trichloro-5-iodobenzene 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: 75.0%

2,4,5-trichloroaniline (636-30-6) → 2,4,5-trichloroiodobenzene (7145-82-6)

Guidance literature:

2,4,5-trichloroaniline; With hydrogenchloride; acetic acid; at 15 - 40 ℃; for 0.5h;

With sodium nitrite; In water; at 15 - 20 ℃; for 0.5h;

With potassium iodide; at 15 - 20 ℃; for 0.5h;

Reference yield: 51.0%

bis(2,4,5-trichlorophenyl)mercury (33327-72-9) → 2,4,5-trichloroiodobenzene (7145-82-6)

Guidance literature:

With iodine; In N,N-dimethyl-formamide;

Reference yield:

iodobenzene (591-50-4) → 2,4,5-trichloroiodobenzene (7145-82-6)

Guidance literature:

With thallium chloride; chlorine; at 60 - 100 ℃;

upstream raw materials:

iodobenzene

2,5-dichloro-4-iodoaniline

2,5-dichloro-4-nitroaniline

5-chloro-2,4-dinitroaniline

Downstream raw materials:

2,4,4',5-tetrachlorobiphenyl

2,2',4,5,6'-pentachlorobiphenyl

2,3',4,5-tetrachlorobiphenyl

2,2',3,4,4',5',6-heptachlorobiphenyl

Refernces

• 1、 Singh, Janak,Kim, Oak K.,Kissick, Thomas P.,Natalie, Kenneth J.,Zhang, Bo,Crispino, Gerard A.,Springer, Dane M.,Wichtowski, John A.,Zhang, Yunhui,Goodrich, Jason,Ueda, Yasutsugu,Luh, Bing Y.,Burke, Brian D.,Brown, Matthew,Dutka, Anthony P.,Zheng, Bin,Hsieh, Dau-Ming,Humora, Michael J.,North, Jeffrey T.,Pullockaran, Anne J.,Livshits, Juliya,Swaminathan, Shankar,Gao, Zhinong,Schierling, Peter,Ermann, Peter,Perrone, Robert K.,Lai, Mei C.,Gougoutas, Jack Z.,DiMarco, John D.,Bronson, Joanne J.,Heikes, James E.,Grosso, John A.,Kronenthal, David R.,Denzel, Theodor W.,Mueller, Richard H.. "A practical synthesis of an anti-methicillin resistant Staphylococcus aureus cephalosporin BMS-247243". . p. 488 - 497. Retrieved 2013/08/07.
• 2、 Deacon, Glen B.,Taylor, Brian S. F.. "Organomercury Compounds. XXV The Mercuration of 1,2,4-Trichlorobenzene". . p. 301 - 312. Retrieved 2007/10/02.