3,6-Dichloro-2-hydroxybenzoic acid

Base Information

• Chemical Name: 3,6-Dichloro-2-hydroxybenzoic acid
• CAS No.: 3401-80-7
• Molecular Formula: C7H4Cl2O3
• Molecular Weight: 207.013
• Hs Code.: 2918290000
• European Community (EC) Number: 222-275-8
• UNII: 4YBF44H2O7
• DSSTox Substance ID: DTXSID9041657
• Nikkaji Number: J205.507D
• Wikidata: Q27260668
• Pharos Ligand ID: Y4KT3PGMKS5J
• ChEMBL ID: CHEMBL1233461
• Mol file: 3401-80-7.mol

Synonyms:2-hydroxy-3,6-dichlorobenzoic acid;2-hydroxy-3,6-dichlorobenzoic acid, dipotassium salt;2-hydroxy-3,6-dichlorobenzoic acid, potassium, sodium salt

Chemical Property of 3,6-Dichloro-2-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000331mmHg at 25°C
• Melting Point: approximate 195℃ (dec.)
• Refractive Index: 1.641
• Boiling Point: 306.7 °C at 760 mmHg
• PKA: 1.99±0.25(Predicted)
• Flash Point: 139.3 °C
• PSA: 57.53000
• Density: 1.665 g/cm³
• LogP: 2.39720
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Soluble), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.9537494
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,6-Dichloro-2-hydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl

Technology Process of 3,6-Dichloro-2-hydroxybenzoic acid

There total 30 articles about 3,6-Dichloro-2-hydroxybenzoic 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: 88.0%

3,6-dichloro-2-hydroxybenzaldehyde (27164-09-6) → 3,6-dichloro-2-hydroxybenzoic acid (3401-80-7)

Guidance literature:

With sodium dihydrogenphosphate; sodium chlorite trihydrate; aminosulfonic acid; In 1,4-dioxane; water; at 0 - 20 ℃; for 1h;

Reference yield: 80.0%

2,3,6-trichlorobenzoate sodium salt → 3,6-dichloro-2-hydroxybenzoic acid (3401-80-7)

Guidance literature:

With methanol; sodium hydroxide; at 130 ℃; for 5h; under 6000.6 Torr; Temperature; Pressure; Inert atmosphere;

Reference yield: 52.9%

carbon dioxide (124-38-9,18923-20-1) + potassium salt of 2,5-dichlorophenol (68938-81-8) → 3,6-dichloro-2-hydroxybenzoic acid (3401-80-7)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; at 160 ℃; for 4h; under 45004.5 Torr; Time; Reagent/catalyst; Temperature; Pressure;

DOI:10.1007/s11164-015-2025-2

upstream raw materials:

diethyl ether

2,5-dichlorophenol

potassium salt of 2,5-dichlorophenol

3,6-dichloro-O-anisic acid

Downstream raw materials:

3,6-dichloro-O-anisic acid

methyl 3,6-dichloro-2-methoxybenzoate

Refernces

• 1、 Jiang, Wenzhi,Wilson, Mark A.,Weeks, Donald P.. "O-demethylations catalyzed by rieske nonheme iron monooxygenases involve the difficult oxidation of a saturated C-H bond". . p. 1687 - 1691. Retrieved 2013.
• 2、 -. "Selective removing method of benzene ring hydroxyl para-bromine and preparation method of dicamba". Page/Page column 5-8. . Retrieved 2019/06/05.
• 3、 -. "Preparation method of dicamba". Paragraph 0095; 0103; 0108; 0113; 0118; 0123; 0128; 0133. . Retrieved 2019/06/05.