1,2,4-Trichlorodibenzo-P-dioxin

Base Information

• Chemical Name: 1,2,4-Trichlorodibenzo-P-dioxin
• CAS No.: 39227-58-2
• Molecular Formula: C12H5 Cl3 O2
• Molecular Weight: 287.52
• UNII: N788AO107G
• DSSTox Substance ID: DTXSID50192489
• Nikkaji Number: J74.782C
• Wikidata: Q27284664
• ChEMBL ID: CHEMBL136676
• Mol file: 39227-58-2.mol

Synonyms:1,2,4-TrCDD;1,2,4-trichlorodibenzo-1,4-dioxin

Chemical Property of 1,2,4-Trichlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Melting Point: 129°C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 379.9°Cat760mmHg
• Flash Point: 150.3°C
• PSA: 18.46000
• Density: 1.562g/cm³
• LogP: 5.54480
• Water Solubility.: 8.41ug/L(25 oC)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 285.935512
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

1,2,4-Trichlorodibenzo-p-dioxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC3=C(O2)C(=C(C=C3Cl)Cl)Cl
• Uses: 1,2,4-Trichlorodibenzo-p-dioxin is a standard used in environmental testing and research such as in the study of radical anions and the reductive dechlorination of selected dibenzo-p-dioxins.