2-Bromo-1,4-benzodioxine

Base Information

• Chemical Name: 2-Bromo-1,4-benzodioxine
• CAS No.: 121910-87-0
• Molecular Formula: C8H5 Br O2
• Molecular Weight: 213.03
• DSSTox Substance ID: DTXSID60346350
• Nikkaji Number: J599.899I
• Wikidata: Q82119328
• Mol file: 121910-87-0.mol

Synonyms:121910-87-0;2-bromo-benzo-1,4-dioxene;2-Bromo-1,4-benzodioxine;3-bromo-1,4-benzodioxine;2-bromobenzo[b][1,4]dioxine;2-bromo-1,4-benzodioxin;2-Bromobenzo-1,4-dioxin;2-Bromo-1,4-benzodioxine #;SCHEMBL7198393;DTXSID60346350;AKOS015962285;AC-16351;A934414

Chemical Property of 2-Bromo-1,4-benzodioxine

Chemical Property:

• Vapor Pressure: 0.235mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 213.8°C at 760 mmHg
• Flash Point: 86.1°C
• PSA: 18.46000
• Density: 1.718g/cm³
• LogP: 2.65160
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 211.94729
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

2-BROMO-BENZO-1,4-DIOXENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC=C(O2)Br

Technology Process of 2-Bromo-1,4-benzodioxine

There total 8 articles about 2-Bromo-1,4-benzodioxine 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%

2,3-dibromo-2,3-dihydro-benzo[1,4]dioxin (67470-89-7) → 2-bromobenzo[b][1,4]dioxine (121910-87-0)

Guidance literature:

With potassium tert-butylate; In diethyl ether; for 8h;

DOI:10.1016/S0040-4020(01)81373-9

Reference yield: 66.0%

benzo-1,4-dioxane (493-09-4) → 2-bromobenzo[b][1,4]dioxine (121910-87-0)

Guidance literature:

benzo-1,4-dioxane; With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane;

With potassium tert-butylate; In diethyl ether;

Reference yield:

2-bromo-3-methoxy-2,3-dihydro-1,4-benzodioxin → 2-bromobenzo[b][1,4]dioxine (121910-87-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran;

upstream raw materials:

2,3-dibromo-2,3-dihydro-benzo[1,4]dioxin

benzo-1,4-dioxane

benzene-1,2-diol

1,2-bis-allyloxy-benzene

Downstream raw materials:

2-((E)-Styryl)-benzo[1,4]dioxine

2-(2-phenyl-1-ethenyl)-1,4-benzodioxin