2,5-Bischloromethyl-1,3,4-oxadiazole

Base Information

• Chemical Name: 2,5-Bischloromethyl-1,3,4-oxadiazole
• CAS No.: 541540-90-3
• Molecular Formula: C4H4Cl2N2O
• Molecular Weight: 166.99
• Hs Code.: 2934999090
• European Community (EC) Number: 863-506-8
• DSSTox Substance ID: DTXSID50458996
• Nikkaji Number: J1.896.913K
• Mol file: 541540-90-3.mol

Synonyms:2,5-Bischloromethyl-1,3,4-oxadiazole;541540-90-3;2,5-bis(chloromethyl)-1,3,4-oxadiazole;bis(chloromethyl)-1,3,4-oxadiazole;DTXSID50458996;MFCD07776575;AKOS006287320;FT-0694455;EN300-1168732

Chemical Property of 2,5-Bischloromethyl-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 0.031mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 252.3°C at 760 mmHg
• Flash Point: 106.4°C
• PSA: 38.92000
• Density: 1.463g/cm³
• LogP: 1.54720
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.9700681
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

98%min ^*data from raw suppliers

2,5-BISCHLOROMETHYL-1,3,4-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C1=NN=C(O1)CCl)Cl

Technology Process of 2,5-Bischloromethyl-1,3,4-oxadiazole

There total 2 articles about 2,5-Bischloromethyl-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:

chloroacetyl chloride (79-04-9) → 2,5-bis(chloromethyl)-1,3,4-oxadiazole (541540-90-3)

Guidance literature:

chloroacetyl chloride; With sodium carbonate; hydrazine hydrate; In diethyl ether;

With perchloric acid;

DOI:10.1021/ol801382f

Reference yield:

1,2-bis(chloroacetyl)hydrazide (89124-06-1) → 2,5-bis(chloromethyl)-1,3,4-oxadiazole (541540-90-3)

Guidance literature:

With perchloric acid; chloroacetyl chloride; at 50 - 60 ℃; for 4h;

DOI:10.1039/c2nj40978j

upstream raw materials:

chloroacetyl chloride

1,2-bis(chloroacetyl)hydrazide