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1,3,5-Benzenetriacetic acid

Base Information Edit
  • Chemical Name:1,3,5-Benzenetriacetic acid
  • CAS No.:4435-67-0
  • Molecular Formula:C12H12O6
  • Molecular Weight:252.224
  • Hs Code.:2917399090
  • European Community (EC) Number:622-798-5
  • NSC Number:408182
  • DSSTox Substance ID:DTXSID60325009
  • Nikkaji Number:J875.413F
  • Wikidata:Q72445137
  • Mol file:4435-67-0.mol
1,3,5-Benzenetriacetic acid

Synonyms:benzene-1,3,5-triacetic acid

Suppliers and Price of 1,3,5-Benzenetriacetic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Sigma-Aldrich
  • Benzene-1,3,5-triacetic acid ≥97.0% (T)
  • 500mg
  • $ 205.00
  • Crysdot
  • 2,2',2''-(Benzene-1,3,5-triyl)triaceticacid 95+%
  • 1g
  • $ 455.00
  • American Custom Chemicals Corporation
  • BENZENE-1,3,5-TRIACETIC ACID 95.00%
  • 500MG
  • $ 751.30
  • Alichem
  • 2,2',2''-(Benzene-1,3,5-triyl)triaceticacid
  • 1g
  • $ 398.04
Total 17 raw suppliers
Chemical Property of 1,3,5-Benzenetriacetic acid Edit
Chemical Property:
  • Melting Point:210-215 °C 
  • Boiling Point:534.2°Cat760mmHg 
  • Flash Point:291°C 
  • PSA:111.90000 
  • Density:1.468g/cm3 
  • LogP:0.56790 
  • XLogP3:0.3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:6
  • Exact Mass:252.06338810
  • Heavy Atom Count:18
  • Complexity:273
Purity/Quality:

98%,99%, *data from raw suppliers

Benzene-1,3,5-triacetic acid ≥97.0% (T) *data from reagent suppliers

Safty Information:
  • Pictogram(s): Xi 
  • Hazard Codes:Xi 
  • Statements: 36/37/38 
  • Safety Statements: 26-36 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=C(C=C(C=C1CC(=O)O)CC(=O)O)CC(=O)O
Technology Process of 1,3,5-Benzenetriacetic acid

There total 5 articles about 1,3,5-Benzenetriacetic 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:
Guidance literature:
1,3,5-Triethynylbenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;
With 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In tetrahydrofuran; for 2h;
With oxone; In acetone; at 50 ℃; for 12h;
Guidance literature:
With oxone||potassium monopersulfate triple salt; water; In acetone; at 50 ℃; for 12h; Inert atmosphere;
DOI:10.1002/anie.202000988
Guidance literature:
Multi-step reaction with 2 steps
1: sodium hydrogencarbonate / tetrahydrofuran; water / 3 h / 20 °C
2: potassium hydroxide / ethanol; water / 100 °C / Sealed tube
With sodium hydrogencarbonate; potassium hydroxide; In tetrahydrofuran; ethanol; water;
DOI:10.1021/acs.jmedchem.1c01482
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