2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole

Base Information

• Chemical Name: 2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole
• CAS No.: 19542-05-3
• Molecular Formula: C14H8 Br2 N2 O
• Molecular Weight: 380.038
• Hs Code.: 2934999090
• NSC Number: 90297
• DSSTox Substance ID: DTXSID90941312
• Nikkaji Number: J307.731D
• Wikidata: Q82918105
• Mol file: 19542-05-3.mol

Synonyms:2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole;19542-05-3;1,3,4-Oxadiazole, 2,5-bis(4-bromophenyl)-;NSC90297;1,3,4-Oxadiazole,2,5-bis(4-bromophenyl)-;SCHEMBL2245998;DTXSID90941312;MFCD00020715;NSC-90297;AKOS000747548;AB92973;BS-25453;2,5-Di-(4-bromphenyl)-1,3,4-oxadiazol;2,5-Di-[4-bromophenyl]-1,3,4-oxadiazole;bis-(4-bromo-phenyl)-[1,3,4]oxadiazole;CS-0198151;2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole #;F18319;A880144

Chemical Property of 2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 4.68E-08mmHg at 25°C
• Melting Point: 256.0-257.2 °C
• Boiling Point: 455.6°Cat760mmHg
• PKA: -5.34±0.37(Predicted)
• Flash Point: 229.3°C
• PSA: 38.92000
• Density: 1.714g/cm³
• LogP: 4.92860
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 379.89829
• Heavy Atom Count: 19
• Complexity: 261

Purity/Quality:

97% ^*data from raw suppliers

2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Br)Br

Technology Process of 2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole

There total 8 articles about 2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole 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: 99.5%

4-bromo-N’-(4-bromobenzoyl)benzohydrazide (69673-99-0) → 2,5-bis-(4-bromophenyl)-1,3,4-oxadiazole (19542-05-3)

Guidance literature:

With trichlorophosphate; In toluene; for 12h; Inert atmosphere; Reflux;

DOI:10.3390/molecules23040843

Reference yield: 86.0%

→ 2,5-bis-(4-bromophenyl)-1,3,4-oxadiazole (19542-05-3)

Guidance literature:

With trichlorophosphate; In water; for 6h; Inert atmosphere; Reflux;

Reference yield: 81.0%

4-bromobenzoic acid hydrazide (5933-32-4) → 2,5-bis-(4-bromophenyl)-1,3,4-oxadiazole (19542-05-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; potassium carbonate; In methanol; hexane; at 60 ℃; for 4h;

DOI:10.3184/174751913X13736408126236

upstream raw materials:

4-bromo-N’-(4-bromobenzoyl)benzohydrazide

4-bromo-N-((4-bromophenyl)chloromethylene)benzhydrazonoyl chloride

4-chlorobenzoyl chloride

4-bromobenzoic acid hydrazide

Downstream raw materials:

2,5-bis(4-cyanophenyl)-1,3,4-oxadiazole

C₂₈H₁₈N₂O₃

2,5-bis-[4-(trimethylsilylethynyl)phenyl] [1,3,4]oxadiazole

2,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl)phenyl]-1,3,4-oxadiazole