5-Chloro-2,4-dihydroxybenzoic acid

Base Information

• Chemical Name: 5-Chloro-2,4-dihydroxybenzoic acid
• CAS No.: 67828-44-8
• Molecular Formula: C7H5ClO4
• Molecular Weight: 188.567
• Hs Code.: 2918290000
• European Community (EC) Number: 267-267-5
• UNII: KAV4DL6BPX
• DSSTox Substance ID: DTXSID9070668
• Nikkaji Number: J90.496A
• Wikidata: Q72518571
• Mol file: 67828-44-8.mol

Synonyms:5-Chloro-2,4-dihydroxybenzoic acid;67828-44-8;5-Chloro-beta-resorcylic acid;Benzoic acid, 5-chloro-2,4-dihydroxy-;Benzoic acid,5-chloro-2,4-dihydroxy-;5-Chloro-4-hydroxysalicylic acid;BRN 3090624;beta-Resorcylic acid, 5-chloro-;KAV4DL6BPX;EINECS 267-267-5;3-10-00-01378 (Beilstein Handbook Reference);5-chloro-2,4-dihydroxybenzoicacid;RDE;UNII-KAV4DL6BPX;SCHEMBL383516;DTXSID9070668;MFCD01684766;5-chloro-2,4-dihydroxy benzoic acid;5-chloro-2,4-dihydroxy-benzoic acid;AKOS006277914;AM804221;AS-62764;2,4-DIHYDROXY-5-CHLOROBENZOICACID;LS-143435;CS-0205243;FT-0732564

Chemical Property of 5-Chloro-2,4-dihydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.69E-07mmHg at 25°C
• Melting Point: 224-225℃
• Refractive Index: 1.679
• Boiling Point: 411.2 °C at 760 mmHg
• PKA: 2.86±0.10(Predicted)
• Flash Point: 202.5 °C
• PSA: 77.76000
• Density: 1.702 g/cm³
• LogP: 1.44940
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.9876363
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

5-Chloro-2,4-dihydroxybenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Chloro-2,4-dihydroxybenzoic acid

There total 11 articles about 5-Chloro-2,4-dihydroxybenzoic 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: 100.0%

methyl 5-chloro-2,4-dihydroxybenzoate (67828-69-7) → 5-chloro-2,4-dihydroxy-benzoic acid (67828-44-8)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2016.10.038

Reference yield: 68.0%

5-chloro-2-hydroxy-4-methoxybenzoic acid (1378866-39-7) → 5-chloro-2,4-dihydroxy-benzoic acid (67828-44-8)

Guidance literature:

5-chloro-2-hydroxy-4-methoxybenzoic acid; With aluminum (III) chloride; 1-dodecylthiol; at 40 ℃; for 1.08333h;

With water; In ethyl acetate; 1-dodecylthiol; at 0 - 20 ℃;

Reference yield:

methyl 2,4-dihydroxybenzoate (2150-47-2) → 5-chloro-2,4-dihydroxy-benzoic acid (67828-44-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / sulfuryl chloride / CH₂Cl₂ / 19 h / 0 - 25 °C

2: 96 percent / NaOH / methanol / 4 h / Heating

With sodium hydroxide; sulfuryl dichloride; In methanol; dichloromethane;

DOI:10.1021/ol050580a

upstream raw materials:

4-hydroxysalicylic acid

4-Chlor-6-chloracetylresorcin-dimethylether

sulfuryl dichloride

diethyl ether

Downstream raw materials:

3-butyryl-5-chloro-2,4-dihydroxy-benzoic acid

4-Chlororesorcinol

5-chloro-2,4-dihydroxy-3-propionyl-benzoic acid

methyl 5-chloro-2,4-dihydroxybenzoate