DIPHACINONE

Base Information

• Chemical Name: DIPHACINONE
• CAS No.: 82-66-6
• Molecular Formula: C23H16 O3
• Molecular Weight: 340.378
• Hs Code.: 29143990
• European Community (EC) Number: 201-434-5
• ICSC Number: 1757
• NSC Number: 9138
• UN Number: 2811,2588,3027
• UNII: 54CA01C6JX
• DSSTox Substance ID: DTXSID4032378
• Nikkaji Number: J3.868G
• Wikipedia: Diphenadione
• Wikidata: Q419386
• NCI Thesaurus Code: C75156
• Metabolomics Workbench ID: 154165
• ChEMBL ID: CHEMBL1413199
• Mol file: 82-66-6.mol

Synonyms:1,3-Indandione,2-(diphenylacetyl)- (6CI,7CI,8CI); 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)-(9CI); 2-(Diphenylacetyl)indan-1,3-dione; Didandin; Didion; Dipaxin; Diphacin;Diphacinon; Diphacinone; Diphenacin; Diphenadion; Diphenadione; NSC 9138;Oragulant; Pestoff ferret paste; Ratindan; Ratindan 1; Solvan; U 1363

Chemical Property of DIPHACINONE

Chemical Property:

• Vapor Pressure: 2.91E-11mmHg at 25°C
• Melting Point: 146-147°
• Refractive Index: 1.6700 (estimate)
• Boiling Point: 528.7°C at 760 mmHg
• PKA: 2.79±0.10(Predicted)
• Flash Point: 228.5°C
• PSA: 51.21000
• Density: 1.273g/cm³
• LogP: 4.08300
• Water Solubility.: 0.3 mg l-1
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 340.109944368
• Heavy Atom Count: 26
• Complexity: 512
• Transport DOT Label: Poison

Purity/Quality:

Diphacinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Prevents blood clotting.
• Hazard Codes: T+
• Statements: 28-48/23/24/25-24-20
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Rodenticides, Anticoagulant
• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance may cause effects on the blood. This may result in bleeding. The effects may be delayed. Medical observation is indicated. Exposure could cause death.
• Effects of Long Term Exposure: The substance may have effects on the blood. This may result in bleeding.
• Description: Diphacinone is also called 2-(diphenylacetyl)indan-1,3-dione, is a yellow powder which is practically insoluble in water, readily soluble in chloroform, toluene, xylene, acetone, ethanol, heptane, alkalis [9, p. 431].
• Uses: Diphacinone is used for the control of rats, mice, voles, prairie dogs, ground squirrels and other rodents. Diphacinone is an anticoagulant rodenticide widely used to control rodent infestations. Rodenticide.
• Therapeutic Function: Anticoagulant

Technology Process of DIPHACINONE

There total 3 articles about DIPHACINONE 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: 78.0%

1H-indene-1,3(2H)-dione (606-23-5) + 2,2-diphenylacetic acid (117-34-0) → diphenadione (82-66-6)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.tet.2018.04.041

Reference yield:

1,1-diphenylacetone (781-35-1) + phthalic acid dimethyl ester (131-11-3,64441-70-9) → diphenadione (82-66-6)

Guidance literature:

With sodium methylate;

Reference yield:

→ diphenadione (82-66-6)

Guidance literature:

o-Dimethylphthalat, Na, 1,1-Diphenylaceton;

DOI:10.1021/ac60283a030

upstream raw materials:

1,1-diphenylacetone

phthalic acid dimethyl ester

1H-indene-1,3(2H)-dione

2,2-diphenylacetic acid

Downstream raw materials:

2-bromo-2-diphenylacetyl-indan-1,3-dione

2-(bromo-diphenyl-acetyl)-indan-1,3-dione

2-diphenylacetyl-2-piperidino-indane-1,3-dione

Refernces