Benzobicyclon

Base Information

• Chemical Name: Benzobicyclon
• CAS No.: 156963-66-5
• Molecular Formula: C₂₂H₁₉ClO₄S₂
• Molecular Weight: 446.975
• DSSTox Substance ID: DTXSID3057987
• Nikkaji Number: J1.610.700J
• Wikidata: Q27155611
• Mol file: 156963-66-5.mol

Synonyms:3-(2-chloro-4-(methylsulfonyl)benzoyl)-4-(phenylthio)-bicyclo(3.2.1)oct-3-en-2-one;benzobicyclon

Chemical Property of Benzobicyclon

Chemical Property:

• Vapor Pressure: 7.81E-17mmHg at 25°C
• Melting Point: 186～190℃
• Boiling Point: 651.1 °C at 760 mmHg
• Flash Point: 347.6 °C
• PSA: 101.96000
• Density: 1.45 g/cm³
• LogP: 6.05240
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 446.0413291
• Heavy Atom Count: 29
• Complexity: 807

Purity/Quality:

97% ^*data from raw suppliers

BENZOBICYCLON 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl

Technology Process of Benzobicyclon

There total 1 articles about Benzobicyclon 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:

→ 3-(2-chloro-4-methylsulfonylbenzoyl)-4-phenylthiobicyclo[3.2.1]oct-3-en-2-one (156963-66-5)

Guidance literature: