2,5-Dibromo-3-(dibromomethyl)thiophene

Base Information

• Chemical Name: 2,5-Dibromo-3-(dibromomethyl)thiophene
• CAS No.: 57846-06-7
• Molecular Formula: C5H2 Br4 S
• Molecular Weight: 413.753
• European Community (EC) Number: 260-986-5
• UNII: WR17F3328Q
• DSSTox Substance ID: DTXSID30206553
• Nikkaji Number: J296.811H
• Wikidata: Q83080384
• Mol file: 57846-06-7.mol

Synonyms:2,5-Dibromo-3-(dibromomethyl)thiophene;57846-06-7;EINECS 260-986-5;WR17F3328Q;C5H2Br4S;UNII-WR17F3328Q;C5-H2-Br4-S;SCHEMBL9632266;DTXSID30206553;Thiophene, 2,5-dibromo-3-(dibromomethyl)-

Chemical Property of 2,5-Dibromo-3-(dibromomethyl)thiophene

Chemical Property:

• Vapor Pressure: 8.22E-05mmHg at 25°C
• Melting Point: 25 °C
• Boiling Point: 351.6°Cat760mmHg
• Flash Point: 166.5°C
• PSA: 28.24000
• Density: 2.674g/cm³
• LogP: 5.06150
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 413.65697
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

2,5-DIBROMO-3-(DIBROMOMETHYL)THIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1C(Br)Br)Br)Br

Technology Process of 2,5-Dibromo-3-(dibromomethyl)thiophene

There total 2 articles about 2,5-Dibromo-3-(dibromomethyl)thiophene 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%

2,5-dibromo-3-methylthiophene (13191-36-1) → 2,5-dibromo-3-dibromomethylthiophene (57846-06-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); bromine; In tetrachloromethane; for 5h; Heating;

Reference yield:

3-Methylthiophene (616-44-4,84928-92-7) → 2,5-dibromo-3-dibromomethylthiophene (57846-06-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / CCl₄

2: 83 percent / Br₂, azobisisobutyronitril (AIBN) / CCl₄ / 5 h / Heating

With 2,2'-azobis(isobutyronitrile); bromine; In tetrachloromethane;

Reference yield: 36.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 2,5-dibromo-3-dibromomethylthiophene (57846-06-7) → syn-1-bromo-1-(2,5-dibromothiophen-3-yl)-2-phenylcyclopropane + anti-1-bromo-1-(2,5-dibromothiophen-3-yl)-2-phenylcyclopropane

Guidance literature:

With potassium tert-butylate; In diethyl ether; Yields of byproduct given; 1.) 0 deg C, 10 min, 2.) 20 deg C, 20 min;

upstream raw materials:

2,5-dibromo-3-methylthiophene

3-Methylthiophene

Downstream raw materials:

2,5-dibromo thiophene-3-carboxaldehyde

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