1,3-Dibromo-5-iodobenzene

Base Information

• Chemical Name: 1,3-Dibromo-5-iodobenzene
• CAS No.: 19752-57-9
• Molecular Formula: C6H3Br2I
• Molecular Weight: 361.802
• Hs Code.: 2903998090
• European Community (EC) Number: 811-006-5
• DSSTox Substance ID: DTXSID80454067
• Nikkaji Number: J1.455.538B
• Wikidata: Q72464825
• Mol file: 19752-57-9.mol

Synonyms:1,3-DIBROMO-5-IODOBENZENE;19752-57-9;3,5-dibromo-1-iodobenzene;Benzene, 1,3-dibromo-5-iodo-;3,5-dibromoiodobenzene;MFCD07778996;SCHEMBL782213;DTXSID80454067;KARUMYWDGQTPFL-UHFFFAOYSA-N;CL8612;AKOS015890545;AM83056;CS-W006211;AS-20051;SY041421;D4691;FT-0650832

Chemical Property of 1,3-Dibromo-5-iodobenzene

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 124.4-124.7℃
• Refractive Index: 1.683
• Boiling Point: 302.679 °C at 760 mmHg
• Flash Point: 136.856 °C
• PSA: 0.00000
• Density: 2.515 g/cm³
• LogP: 3.81620
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 361.76257
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibromo-5-iodobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Br)I)Br

Technology Process of 1,3-Dibromo-5-iodobenzene

There total 14 articles about 1,3-Dibromo-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: 96.0%

1,3,5-trisbromobenzene (626-39-1) → 1,3-dibromo-5-iodobenzene (19752-57-9)

Guidance literature:

1,3,5-trisbromobenzene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1h;

With iodine; In diethyl ether; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1021/jacs.8b08087

Reference yield: 85.0%

3,5-dibromo-1-trimethylsilylbenzene (17878-23-8) → 1,3-dibromo-5-iodobenzene (19752-57-9)

Guidance literature:

With Iodine monochloride; In dichloromethane; at 0 ℃; for 2.16667h;

DOI:10.1021/jo025742k

Reference yield: 82.0%

3,5-dibromoaniline (626-40-4) → 1,3-dibromo-5-iodobenzene (19752-57-9)

Guidance literature:

With hydrogenchloride; potassium iodide; sodium nitrite; In water; acetonitrile; at 0 ℃;

DOI:10.1016/j.tetlet.2014.04.083

upstream raw materials:

3,5-dibromoaniline

2,4-dibromo-6-iodoaniline

2,6-dibromo-4-iodoaniline

1,3,5-trisbromobenzene

Downstream raw materials:

acetic acid 4-(3,5-dibromo-phenylethynyl)-benzyl ester

3,5-dibromo-4'-phenyl-3''-(phenylethynyl)-1,1':2',1''-terphenyl

2,5-bis-[4-(tert-butyl-dimethyl-silanyloxy)-but-1-ynyl]-4-(3,5-di-pent-1-ynyl-phenylethynyl)-benzaldehyde