1-(Bromomethyl)-2-iodo-4-nitrobenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-2-iodo-4-nitrobenzene
• CAS No.: 89642-21-7
• Molecular Formula: C7H5BrINO2
• Molecular Weight: 341.9286
• NSC Number: 129615
• DSSTox Substance ID: DTXSID30299364
• Wikidata: Q82041725
• Mol file: 89642-21-7.mol

Synonyms:89642-21-7;1-(bromomethyl)-2-iodo-4-nitrobenzene;2-Iodo-4-nitrobenzyl Bromide;2-IODO-4-NITROBENZYLBROMIDE;MFCD18398003;NSC129615;SCHEMBL11441253;DTXSID30299364;ICCB6_000057;NSC-129615;AC-29798;BCB03_000164;CS-12413;SY058092;CS-0459327;A916572

Chemical Property of 1-(Bromomethyl)-2-iodo-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 1.51E-05mmHg at 25°C
• Boiling Point: 377°Cat760mmHg
• Flash Point: 181.8°C
• Density: 2.237g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 340.85484
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])I)CBr

Technology Process of 1-(Bromomethyl)-2-iodo-4-nitrobenzene

There total 1 articles about 1-(Bromomethyl)-2-iodo-4-nitrobenzene 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: 47.0%

2-iodo-1-methyl-4-nitrobenzene (7745-92-8) → 1-bromomethyl-2-iodo-4-nitrobenzene (89642-21-7)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In monoethylene glycol diethyl ether; for 4h; Reflux; Inert atmosphere;

Reference yield: 79.0%

N-(2-acetylphenyl)-4-methylbenzenesulfonamide (1859-70-7) + 1-bromomethyl-2-iodo-4-nitrobenzene (89642-21-7) → N-(2-acetyl-phenyl)-N-(2-iodo-4-nitrobenzyl)-4-methylbenzenesulfonamide

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 8h;

DOI:10.1002/chem.201503210

Reference yield: 39.0%

1-bromomethyl-2-iodo-4-nitrobenzene (89642-21-7) + methyl 1-(triphenylmethyl)-1H-imidazole-4-carboxylate (76074-88-9) → methyl 1-(2-iodo-4-nitrobenzyl)-1H-imidazole-5-carboxylate

Guidance literature:

1-bromomethyl-2-iodo-4-nitrobenzene; methyl 1-(triphenylmethyl)-1H-imidazole-4-carboxylate; In acetonitrile; for 18h; Reflux; Inert atmosphere;

With diethylamine; In methanol; acetonitrile; for 2h; Inert atmosphere; Reflux;

upstream raw materials:

2-iodo-1-methyl-4-nitrobenzene

Downstream raw materials:

2-iodo-4-nitro-benzaldehyde

3,6-Diamino-phenanthren

3,6-Dinitro-phenanthren

C₁₉H₁₅I₂N₃O₆