5-(2,2,2-Trichloro-1-hydroxyethyl)salicylic acid

Base Information

• Chemical Name: 5-(2,2,2-Trichloro-1-hydroxyethyl)salicylic acid
• CAS No.: 85392-08-1
• Molecular Formula: C9H7Cl3O4
• Molecular Weight: 285.511
• Hs Code.: 2918290000
• European Community (EC) Number: 286-866-2
• DSSTox Substance ID: DTXSID901005878
• Nikkaji Number: J310.401J
• Mol file: 85392-08-1.mol

Synonyms:85392-08-1;5-(2,2,2-Trichloro-1-hydroxyethyl)salicylic acid;2-hydroxy-5-(2,2,2-trichloro-1-hydroxyethyl)benzoic acid;EINECS 286-866-2;C9H7Cl3O4;C9-H7-Cl3-O4;SCHEMBL11566222;DTXSID901005878

Chemical Property of 5-(2,2,2-Trichloro-1-hydroxyethyl)salicylic acid

Chemical Property:

• Vapor Pressure: 1.07E-08mmHg at 25°C
• Boiling Point: 444.9°Cat760mmHg
• Flash Point: 222.8°C
• PSA: 77.76000
• Density: 1.723g/cm³
• LogP: 2.49400
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 283.940992
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(C(Cl)(Cl)Cl)O)C(=O)O)O

Technology Process of 5-(2,2,2-Trichloro-1-hydroxyethyl)salicylic acid

There total 3 articles about 5-(2,2,2-Trichloro-1-hydroxyethyl)salicylic acid 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:

chloral hydrate (302-17-0) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-hydroxy-5-(2,2,2-trichloro-1-hydroxy-ethyl)-benzoic acid (85392-08-1) + 6,6'-dihydroxy-3,3'-(2,2,2-trichloro-ethylidene)-di-benzoic acid dimethyl ester (860000-79-9)

Guidance literature:

With sulfuric acid; Erwaermen des Reaktionsprodukts mit Chlorwasserstoff enthaltendem Methanol;

DOI:10.1111/j.1834-7819.2000.tb00246.x DOI:10.1039/jr9360000554

Reference yield:

chloral hydrate (302-17-0) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-hydroxy-5-(2,2,2-trichloro-1-hydroxy-ethyl)-benzoic acid (85392-08-1) + 6,6'-dihydroxy-3,3'-(2,2,2-trichloro-ethylidene)-di-benzoic acid (85273-91-2)

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9360000554

Reference yield:

→ 2-hydroxy-5-(2,2,2-trichloro-1-hydroxy-ethyl)-benzoic acid (85392-08-1)

Guidance literature:

Chloral-ethylhemiacetal, Salicylsaeure, konz. H2SO4;

upstream raw materials:

chloral hydrate

salicylic acid

Downstream raw materials:

6,6'-dihydroxy-3,3'-(2,2,2-trichloro-ethylidene)-di-benzoic acid

5-(2,2-dichloro-vinyl)-2-hydroxy-benzoic acid

5-chloroethynyl-2-methoxy-benzoic acid

6,6'-dihydroxy-3,3'-(2,2,2-trichloro-ethylidene)-di-benzoic acid dimethyl ester

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