3,5,6-Trichlorosalicylic acid

Base Information

• Chemical Name: 3,5,6-Trichlorosalicylic acid
• CAS No.: 40932-60-3
• Molecular Formula: C7H3Cl3O3
• Molecular Weight: 241.458
• Hs Code.: 2918290000
• European Community (EC) Number: 255-144-9
• DSSTox Substance ID: DTXSID7068265
• Nikkaji Number: J294.793E
• Wikidata: Q72510458
• ChEMBL ID: CHEMBL10381
• Mol file: 40932-60-3.mol

Synonyms:3,5,6-Trichlorosalicylic acid;40932-60-3;2,3,5-Trichloro-6-hydroxybenzoic acid;Benzoic acid, 2,3,5-trichloro-6-hydroxy-;3,5,6-Trichloro-2-hydroxybenzoic Acid;C7H3Cl3O3;3.5.6-Trichlorosalicylic acid;EINECS 255-144-9;MFCD00075245;2,3,5-trichlorosalicylic acid;ghl.PD_Mitscher_leg0.102;3,5,6-Trichlorosalicylicacid;Oprea1_358873;CHEMBL10381;SCHEMBL1229004;DTXSID7068265;3,5,6-trichloro-salicylic acid;AMY33531;STR03451;CK2247;STK897376;AKOS000121459;AC-6785;CS-W014654;SY014418;2,3,5-Trichloro-6-hydroxybenzoic acid #;FT-0614418;T1406;EN300-18160;A825351;Z57238994

Chemical Property of 3,5,6-Trichlorosalicylic acid

Chemical Property:

• Appearance/Colour: white grey solid powder
• Vapor Pressure: 4.87E-05mmHg at 25°C
• Melting Point: 209-211 °C(lit.)
• Boiling Point: 335 °C at 760 mmHg
• PKA: 1.50±0.25(Predicted)
• Flash Point: 156.4 °C
• PSA: 57.53000
• Density: 1.772 g/cm³
• LogP: 3.05060
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: It has limited solubility in water.
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.914777
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

3,5,6-Trichlorosalicylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)O)Cl
• Uses: 3,5,6-Trichlorosalicylic acid is a chlorinated salicylic acid intermediate.

Technology Process of 3,5,6-Trichlorosalicylic acid

There total 10 articles about 3,5,6-Trichlorosalicylic 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: 93.0%

3,5-dichlorosalicylic acid (320-72-9) → 3,5,6-Trichloro-2-hydroxybenzoic acid (40932-60-3)

Guidance literature:

With sulfuric acid; iodine; chlorine; at 70 ℃;

DOI:10.1016/j.tetlet.2019.03.024

Reference yield: 77.7%

→ 3,5,6-Trichloro-2-hydroxybenzoic acid (40932-60-3)

Guidance literature:

Reference yield: 3.5%

3,5-dichlorosalicylic acid (320-72-9) → 2,3,5,6-tetrachlorobenzene-1,4-diol (87-87-6) + 3,5,6-Trichloro-2-hydroxybenzoic acid (40932-60-3) + chloranil (118-75-2) + tri(3,5,6-trichlorosalicylide)

Guidance literature:

With sulfuric acid; chlorine; at 80 - 90 ℃; for 15h;

upstream raw materials:

3,5-dichlorosalicylic acid

sulfuric acid

chlorine

5-chloro-2-hydroxybenzoic acid

Downstream raw materials:

2-bromo-3,4,6-trichloro-phenol

4-bromo-2,3,5-trichloro-6-hydroxy-benzoic acid

2,4,5-trichlorophenol

2,3,4,6-tetrachlorophenol

Refernces

• 1、 -. "3,6-DICHLOROSALICYLIC ACID COMPOUNDS AND RELATED SYNTHETIC PROCESSES". Paragraph 0136. . Retrieved 2016/01/26.
• 2、 Dowd, Christopher D.,Paul, D. Brenton. "Synthesis and Evaluation of Diaryl Oxalate Esters for Low-Intensity Chemiluminescent Illumination". . p. 73 - 86. Retrieved 2007/10/02.