Dichloralphenazone

Base Information

• Chemical Name: Dichloralphenazone
• CAS No.: 480-30-8
• Molecular Formula: 2C₂H₃Cl₃O₂*C₁₁H₁₂N₂O
• Molecular Weight: 519.036
• Hs Code.: 2933194350
• European Community (EC) Number: 207-546-0
• UNII: YYX637R279
• DSSTox Substance ID: DTXSID2022919
• Wikipedia: Dichloralphenazone
• Wikidata: Q5272471
• NCI Thesaurus Code: C87204
• Metabolomics Workbench ID: 146149
• ChEMBL ID: CHEMBL1697834
• Mol file: 480-30-8.mol

Synonyms:dichloralantipyrine;dichloralphenazone

Chemical Property of Dichloralphenazone

Chemical Property:

• Vapor Pressure: 0.000348mmHg at 25°C
• Melting Point: 68°
• Boiling Point: 319 °C at 760 mmHg
• Flash Point: 114.8 °C
• PSA: 107.85000
• LogP: 2.81900
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 517.931738
• Heavy Atom Count: 28
• Complexity: 323

Purity/Quality:

99%, ^*data from raw suppliers

Dichloralphenazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O
• Uses: Sedative-hypnotic. Dichloralphenazone is a combination of Antipyrine (A697500) and Chloral Hydrate (T774055), and is used to of induce sleep in insomniacs.

Technology Process of Dichloralphenazone

There total 1 articles about Dichloralphenazone 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:

antipyrine (60-80-0) + chloral (75-87-6) → dichloralphenazone (480-30-8,603-63-4,8056-77-7)

Guidance literature:

With water;

upstream raw materials:

antipyrine

chloral