Difethialone

Base Information

• Chemical Name: Difethialone
• CAS No.: 104653-34-1
• Molecular Formula: C31H23BrO2S
• Molecular Weight: 539.48
• Hs Code.: 29349990
• European Community (EC) Number: 600-594-7
• DSSTox Substance ID: DTXSID4032374
• Nikkaji Number: J576.168I
• Wikipedia: Difethialone
• Wikidata: Q424845
• ChEMBL ID: CHEMBL3188653
• Mol file: 104653-34-1.mol

Synonyms:difethialone;LM 2219;LM-2219

Chemical Property of Difethialone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 233-236oC
• Refractive Index: 1.707
• Boiling Point: 659.6 °C at 760 mmHg
• PKA: 4.50±1.00(Predicted)
• Flash Point: 352.7 °C
• PSA: 65.54000
• Density: 1.442 g/cm³
• LogP: 8.25850
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 538.06021
• Heavy Atom Count: 35
• Complexity: 794

Purity/Quality:

99.9% ^*data from raw suppliers

Difethialone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Rodenticides, Anticoagulant
• Canonical SMILES: C1C(CC2=CC=CC=C2C1C3=C(SC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br
• Description: Difethialone[104653-34-1], 3-[(1RS,3RS; 1RS,3SR)-3- (4 -bromobiphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl]- 4-hydroxy-1-benzothiin-2-one, C31H23BrO2S, MW 539.5, mp 233–236 ?C, is a slightly yellowish powder which is practically insoluble in water, moderately soluble in ethanol, methanol, hexane, acetone, readily soluble in chloroform, dimethylformamide [9, p. 393].
• Uses: Difethialone is an anticoagulant rodenticide widely used to control rodent infestations. Pesticide.