Dibenzo(b,e)(1,4)dioxin-13C12, 2,3,7,8-tetrachloro-

Base Information

• Chemical Name: Dibenzo(b,e)(1,4)dioxin-13C12, 2,3,7,8-tetrachloro-
• CAS No.: 76523-40-5
• Molecular Formula: C₁₂H₄Cl₄O₂
• Molecular Weight: 333.843
• European Community (EC) Number: 809-723-3
• DSSTox Substance ID: DTXSID60227332
• Nikkaji Number: J1.001.939G
• Wikidata: Q83107036
• Mol file: 76523-40-5.mol

Synonyms:76523-40-5;Dibenzo(b,e)(1,4)dioxin-13C12, 2,3,7,8-tetrachloro-;DTXSID60227332

Chemical Property of Dibenzo(b,e)(1,4)dioxin-13C12, 2,3,7,8-tetrachloro-

Chemical Property:

• PSA: 18.46000
• Density: 1.643g/cm³
• LogP: 6.19820
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 333.933848
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

2,3,7,8-Tetrachloro-p-dioxin-13C12 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl
• Isomeric SMILES: [13CH]1=[13C]2[13C](=[13CH][13C](=[13C]1Cl)Cl)O[13C]3=[13CH][13C](=[13C]([13CH]=[13C]3O2)Cl)Cl
• Uses: Isotope labelled 2,3,7,8-Tetrachloro-p-dioxin, a toxic polychlorinated dibenzo-p-dioxin detected in domestic meat and poultry.

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