1,3-Indandione

Base Information

• Chemical Name: 1,3-Indandione
• CAS No.: 606-23-5
• Deprecated CAS: 823271-74-5
• Molecular Formula: C9H6O2
• Molecular Weight: 146.145
• Hs Code.: 29143900
• European Community (EC) Number: 210-109-7
• NSC Number: 26329,6312
• UNII: 4DJN7YG35G
• DSSTox Substance ID: DTXSID2060547
• Nikkaji Number: J7.003C
• Wikipedia: 1,3-Indandione
• Wikidata: Q161510
• ChEMBL ID: CHEMBL283521
• Mol file: 606-23-5.mol

Synonyms:1,3-indandione

Chemical Property of 1,3-Indandione

Chemical Property:

• Appearance/Colour: Yellow to green fine crystalline powder
• Vapor Pressure: 0.000191mmHg at 25°C
• Melting Point: 129-132 °C
• Refractive Index: 1.696
• Boiling Point: 302.5 °C at 760 mmHg
• PKA: 8.95±0.20(Predicted)
• Flash Point: 113 °C
• PSA: 34.14000
• Density: 1.31 g/cm³
• LogP: 1.45570
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in ethanol, ether, benzene, slightly soluble in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.036779430
• Heavy Atom Count: 11
• Complexity: 186

Purity/Quality:

99%min ^*data from raw suppliers

Indane-1,3-dione 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 33-36/37/38
• Safety Statements: 24/25-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C1C(=O)C2=CC=CC=C2C1=O
• Uses: It is used in the first stage of forensic identification of latent fingerprints. It is particularly useful for paper, and for items printed with thermal inks such as receipts.

Technology Process of 1,3-Indandione

There total 103 articles about 1,3-Indandione 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: 98.0%

2,3-dihydro-1H-indene-1,3-diol (60414-82-6) → 1H-indene-1,3(2H)-dione (606-23-5)

Guidance literature:

With 2-iodoxybenzoic acid; 10-camphorsufonic acid; In 1,4-dioxane; dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153298

Reference yield: 95.0%

3-hydroxy-2,3-dihydro-1H-inden-1-one (26976-59-0) → 1H-indene-1,3(2H)-dione (606-23-5)

Guidance literature:

With Jones reagent; In acetone; at 20 ℃; for 2h;

DOI:10.1021/acs.joc.8b02149

Reference yield: 95.0%

(-)-trans-(1R,3R)-1,3-Dihydroxyindane → 1H-indene-1,3(2H)-dione (606-23-5) + (R)-3-hydroxy-2,3-dihydro-1H-inden-1-one

Guidance literature:

With Shvo's Catalyst; In acetone; at 35 ℃; for 20h; Air;

DOI:10.1002/chem.200903114

upstream raw materials:

2-formylindane-1,3-dione

2-bromo-indan-1,3-dione

[2,2']biindenyl-1,3,1',3'-tetraone

2,2-bis-(1,3-dioxo-indan-2-yl)-acenaphthen-1-one

Downstream raw materials:

2,2''-benzylidene-bis-[1,2']biindenylidene-3,1',3'-trione

bindone

2-benzylidene-indan-1,3-dione

truxenone