Hexazole

Base Information

• Chemical Name: Hexazole
• CAS No.: 4671-03-8
• Molecular Formula: C10H17N3
• Molecular Weight: 179.2621
• UNII: 9LVF34296S
• DSSTox Substance ID: DTXSID90196921
• Nikkaji Number: J8.756D
• Wikidata: Q27272716
• NCI Thesaurus Code: C65850
• ChEMBL ID: CHEMBL2105027
• Mol file: 4671-03-8.mol

Synonyms:Hexazole;4-cyclohexyl-3-ethyl-1,2,4-triazole;Hexazole [BAN];9LVF34296S;4671-03-8;UNII-9LVF34296S;HEXAZOLE [MI];SCHEMBL2111420;CHEMBL2105027;DTXSID90196921;T 156;Q27272716

Chemical Property of Hexazole

Chemical Property:

• Vapor Pressure: 0.000326mmHg at 25°C
• Melting Point: 89-90°
• Refractive Index: 1.6250 (estimate)
• Boiling Point: 320.1°Cat760mmHg
• Flash Point: 147.4°C
• PSA: 30.71000
• Density: 1.15g/cm³
• LogP: 2.34570
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.142247555
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

95% ^*data from raw suppliers

HEXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NN=CN1C2CCCCC2

Technology Process of Hexazole

There total 1 articles about Hexazole 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:

N-cyclohexylpropanamide (1126-56-3) → 3-ethyl-4-cyclohexyl-4H-[1,2,4]triazole (4671-03-8)

Guidance literature:

With benzenesulfonyl chloride; anschliessend mit Ameisensaeure-hydrazid;

upstream raw materials:

N-cyclohexylpropanamide