Cloracetadol

Base Information

• Chemical Name: Cloracetadol
• CAS No.: 15687-05-5
• Molecular Formula: C10H10 Cl3 N O3
• Molecular Weight: 298.553
• European Community (EC) Number: 239-776-2
• UNII: 41Z22TQD48
• DSSTox Substance ID: DTXSID20864621
• Nikkaji Number: J9.001H
• Wikidata: Q27258470
• NCI Thesaurus Code: C81380
• ChEMBL ID: CHEMBL2104601
• Mol file: 15687-05-5.mol

Synonyms:4-acetylamino-1-phenoxy-2,2,2-trichloroethanol;chloracetadol

Chemical Property of Cloracetadol

Chemical Property:

• Vapor Pressure: 1.61E-09mmHg at 25°C
• Boiling Point: 467°Cat760mmHg
• Flash Point: 236.2°C
• PSA: 58.56000
• Density: 1.53g/cm³
• LogP: 2.78540
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 296.972626
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

CLORACETADOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)OC(C(Cl)(Cl)Cl)O

Technology Process of Cloracetadol

There total 2 articles about Cloracetadol 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:

4-acetaminophenol (103-90-2,8055-08-1) + chloral (75-87-6) → acetic acid-[4-(2,2,2-trichloro-1-hydroxy-ethoxy)-anilide] (15687-05-5)

Guidance literature:

With acetic acid;

Reference yield:

→ acetic acid-[4-(2,2,2-trichloro-1-hydroxy-ethoxy)-anilide] (15687-05-5)

Guidance literature:

Cl3CCHO, 4-Acetaminophenol;

Reference yield:

acetic acid-[4-(2,2,2-trichloro-1-hydroxy-ethoxy)-anilide] (15687-05-5) + water (7732-18-5) → chloral hydrate (302-17-0) + 4-acetaminophenol (103-90-2,8055-08-1)

Guidance literature:

upstream raw materials:

4-acetaminophenol

chloral

Downstream raw materials:

chloral hydrate

4-acetaminophenol