2,4,5-Trihydroxybenzoic acid

Base Information

• Chemical Name: 2,4,5-Trihydroxybenzoic acid
• CAS No.: 610-90-2
• Molecular Formula: C7H6O5
• Molecular Weight: 170.122
• Hs Code.: 2918290000
• NSC Number: 2813
• UNII: O9A1580JUY
• DSSTox Substance ID: DTXSID10209865
• Nikkaji Number: J1.274.532J
• Wikidata: Q27285511
• Mol file: 610-90-2.mol

Synonyms:2,4,5-Trihydroxybenzoic acid;610-90-2;Benzoic acid, 2,4,5-trihydroxy-;BRN 2720657;UNII-O9A1580JUY;AI3-19304;O9A1580JUY;NSC-2813;4-10-00-01979 (Beilstein Handbook Reference);NSC2813;2,4,5-Trihydroxybenzoicacid;SCHEMBL975930;3,4,6-trihydroxybenzoic acid;DTXSID10209865;2,5-TRIHYDROXYBENZOIC ACID;NSC 2813;Benzoic acid, 2,4,5-tri-hydroxyl-;AKOS006276541;LS-38397;FT-0691407;Q27285511

Chemical Property of 2,4,5-Trihydroxybenzoic acid

Chemical Property:

• Boiling Point: 493.3°Cat760mmHg
• Flash Point: 266.3°C
• PSA: 97.99000
• Density: 1.749g/cm³
• LogP: 0.50160
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 170.02152329
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

2,4,5-Trihydroxybenzoicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1O)O)O)C(=O)O

Technology Process of 2,4,5-Trihydroxybenzoic acid

There total 10 articles about 2,4,5-Trihydroxybenzoic 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:

2-(2,4,5-trihydroxy-benzoyl)-benzenesulfonic acid (860600-57-3) → 2,4,5-trihydroxybenzoic acid (610-90-2)

Guidance literature:

With potassium hydroxide; at 210 ℃;

Reference yield:

1,2,4-Trihydroxybenzene (533-73-3) → 2,4,5-trihydroxybenzoic acid (610-90-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 °C

2: potassium hydroxide / 210 °C

With potassium hydroxide;

Reference yield:

C7H3B3Br6O5 → 2,4,5-trihydroxybenzoic acid (610-90-2)

Guidance literature:

With water; In dichloromethane; cooling;

DOI:10.1002/hlca.200690139

upstream raw materials:

6-hydroxy-3,4-dimethoxy-phthalic acid

2-(2,4,5-trihydroxy-benzoyl)-benzenesulfonic acid

1,2,4-Trihydroxybenzene

hydrogen iodide

Downstream raw materials:

1,2,4-Trihydroxybenzene

2,4,5-triacetoxy-benzoic acid

2-hydroxy-4,5-dimethoxybenzoic acid methyl ester

1,3-cylohexanedione

Refernces