2-(Bromomethyl)-5-nitro-1-benzofuran

Base Information

• Chemical Name: 2-(Bromomethyl)-5-nitro-1-benzofuran
• CAS No.: 118679-18-8
• Molecular Formula: C9H6 Br N O3
• Molecular Weight: 256.05
• DSSTox Substance ID: DTXSID90465169
• Wikidata: Q82290919
• Mol file: 118679-18-8.mol

Synonyms:118679-18-8;2-(bromomethyl)-5-nitro-1-benzofuran;2-BROMOMETHYL-5-NITROBENZOFURAN;2-(Bromomethyl)-5-nitrobenzofuran;SCHEMBL8381918;2-bromomethyl-5-nitro-benzofuran;DTXSID90465169;SFJHMWIZTGVIBR-UHFFFAOYSA-N;EN300-8678479

Chemical Property of 2-(Bromomethyl)-5-nitro-1-benzofuran

Chemical Property:

• Boiling Point: 356.7±27.0 °C(Predicted)
• PSA: 58.96000
• Density: 1.733±0.06 g/cm3(Predicted)
• LogP: 3.75910
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 254.95311
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

2-BROMOMETHYL-5-NITROBENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=C(O2)CBr

Technology Process of 2-(Bromomethyl)-5-nitro-1-benzofuran

There total 6 articles about 2-(Bromomethyl)-5-nitro-1-benzofuran 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: 83.0%

(5-nitro-1-benzofuran-2-yl)methanol (90322-48-8) → 2-bromomethyl-5-nitro-benzofuran (118679-18-8)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 1.5h;

Reference yield:

2-methyl-5-nitrobenzofuran (14146-09-9) → 2-bromomethyl-5-nitro-benzofuran (118679-18-8)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

Reference yield:

1-benzofurane (271-89-6) + 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (77-48-5) → 2-bromomethyl-5-nitro-benzofuran (118679-18-8)

Guidance literature:

With dibenzoyl peroxide; In tetrachloromethane;

upstream raw materials:

1-benzofurane

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

N-Bromosuccinimide

2-methyl-5-nitrobenzofuran

Downstream raw materials:

N-Methyl-N-(5-nitrobenzofur-2-ylmethyl)-4-nitrophenethylamine