4,5-Dihydroxyphthalic acid

Base Information

• Chemical Name: 4,5-Dihydroxyphthalic acid
• CAS No.: 63958-66-7
• Molecular Formula: C8H6 O6
• Molecular Weight: 198.132
• Hs Code.: 2918290000
• European Community (EC) Number: 886-264-5
• DSSTox Substance ID: DTXSID50213800
• Nikkaji Number: J18.347D
• Wikidata: Q27102257
• Metabolomics Workbench ID: 50811
• Mol file: 63958-66-7.mol

Synonyms:4,5-DHPA;4,5-dihydroxyphthalic acid

Chemical Property of 4,5-Dihydroxyphthalic acid

Chemical Property:

• Vapor Pressure: 2.61E-12mmHg at 25°C
• Boiling Point: 535.8°Cat760mmHg
• PKA: 3.20±0.10(Predicted)
• Flash Point: 291.9°C
• PSA: 115.06000
• Density: 1.779g/cm³
• LogP: 0.49420
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 198.01643791
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

4,5-Dihydroxybenzene-1,2-dicarboxylic acid ^*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)C(=O)O)C(=O)O

Technology Process of 4,5-Dihydroxyphthalic acid

There total 15 articles about 4,5-Dihydroxyphthalic 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:

hydrogenchloride (7647-01-0,15364-23-5) + m-hemipinic acid (577-68-4) → Isovanillic acid (645-08-9,74309-78-7) + 4,5-dihydroxyphthalic acid (63958-66-7)

Guidance literature:

at 100 ℃; im Rohr;

Reference yield:

4,5-diiodobenzene-1,2-dicarboxylic acid (82679-28-5) → 4,5-dihydroxyphthalic acid (63958-66-7)

Guidance literature:

With sodium hydroxide;

Reference yield:

m-hemipinic acid (577-68-4) → 4,5-dihydroxyphthalic acid (63958-66-7)

Guidance literature:

With phosphorus; hydrogen iodide;

upstream raw materials:

4,5-dichlorophthalic acid

m-hemipinic acid

4,5-dibromophthalic acid

4,5-diiodobenzene-1,2-dicarboxylic acid

Downstream raw materials:

4,5-diethoxy-phthalic acid

4,5-dihydroxyphthalic acid diethyl ester