2,4,5-Tribromothiazole

Base Information

• Chemical Name: 2,4,5-Tribromothiazole
• CAS No.: 57314-13-3
• Molecular Formula: C3Br3NS
• Molecular Weight: 321.81600
• DSSTox Substance ID: DTXSID30490879
• Nikkaji Number: J449.908E
• Wikidata: Q82334926
• Mol file: 57314-13-3.mol

Synonyms:2,4,5-Tribromothiazole;57314-13-3;2,4,5-Tribromo-1,3-thiazole;TRIBROMO-1,3-THIAZOLE;SCHEMBL12496387;DTXSID30490879;MFCD19543764;AKOS015943038;AB92844;BS-49781;CS-0188373;FT-0760052;E78584;EN300-314681

Chemical Property of 2,4,5-Tribromothiazole

Chemical Property:

• PSA: 41.13000
• LogP: 3.43060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 320.72811
• Heavy Atom Count: 8
• Complexity: 90.6

Purity/Quality:

98%Min ^*data from raw suppliers

2,4,5-TRIBROMOTHIAZOLE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(SC(=N1)Br)Br)Br

Technology Process of 2,4,5-Tribromothiazole

There total 2 articles about 2,4,5-Tribromothiazole 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:

2,4-dibromo-1,3-thiazole (4175-77-3) → 2,4,5-tribromothiazole (57314-13-3)

Guidance literature:

With N-Bromosuccinimide; In acetic acid; Reflux; Inert atmosphere;

DOI:10.1021/acs.joc.7b00495

Reference yield:

→ 2,4,5-tribromothiazole (57314-13-3)

Guidance literature:

Dibrom-thiazol 5,Br2,Eg.;

Reference yield:

2,4,5-tribromothiazole (57314-13-3) → 4-bromo-1,3-thiazole (34259-99-9) + 2,4-dibromo-1,3-thiazole (4175-77-3)

Guidance literature:

With hydrogenchloride; n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1) diethyl ether, -78 deg C, 10 min;

upstream raw materials:

2,4-dibromo-1,3-thiazole

Downstream raw materials:

4-bromo-1,3-thiazole

2,4-dibromo-1,3-thiazole

4,5-dibromothiazole

Refernces