Pentachloronitrobenzene-13C6

• CAT Number: R018690
• CAS Number: 362044-64-2
• Molecular Formula: C6Cl5NO2
• Molecular Weight: 301.275
• Purity: ≥95%
• Synonyms: 1,2,3,4,5-Pentachloronitrobenzene-13C6; 2,3,4,5,6-Pentachloronitrobenzene-13C6; Avicol (pesticide)-13C6; Batrilex-13C6; Botrilex-13C6; Brassicol-13C6; Brassicol 75-13C6; Brassicol Super-13C6; Chinozan-13C6; Fartox-13C6; Folosan-13C6; Fomac 2-13C6; GC
• Storage: Store at +4°C
• IUPAC Name: 1,2,3,4,5-pentachloro-6-nitrobenzene
• InChI: InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9/i1+1,2+1,3+1,4+1,5+1,6+1
• InChIKey: LKPLKUMXSAEKID-IDEBNGHGSA-N
• SMILES: [13C]1(=[13C]([13C](=[13C]([13C](=[13C]1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

Pentachloronitrobenzene-13C6 is an isotopically labeled form of pentachloronitrobenzene, with all six carbon atoms replaced by the stable isotope carbon-13. This compound is particularly valuable in environmental and chemical research, where it is used as a tracer or standard in studies involving the fate and transport of chlorinated aromatic compounds. The carbon-13 labeling facilitates accurate detection and quantification using mass spectrometry and NMR spectroscopy, providing detailed insights into degradation pathways, environmental persistence, and bioaccumulation. Pentachloronitrobenzene-13C6 is a critical tool for researchers focusing on environmental monitoring, toxicology, and the assessment of chemical contaminants in various ecosystems.