Pentachloronitrobenzene-13C6

Base Information

• Chemical Name: Pentachloronitrobenzene-13C6
• CAS No.: 362044-64-2
• Molecular Formula: C6Cl5NO2
• Molecular Weight: 301.3
• Mol file: 362044-64-2.mol

Synonyms:362044-64-2;Pentachloronitrobenzene-13C6;Quintozene 13C6;Benzene-13C6, pentachloronitro- (9CI);Pentachloronitrobenzene (13C6);Pentachloronitrobenzene 13C6;Pentachloronitrobenzene-1,2,3,4,5,6-13C6;Quintozene-13C6;Quintozene 13C6 100 microg/mL in Cyclohexane

Chemical Property of Pentachloronitrobenzene-13C6

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 300.854346
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98% by CP; 98% atom 13C ^*data from raw suppliers

Pentachloronitrobenzene-13C6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
• Isomeric SMILES: [13C]1(=[13C]([13C](=[13C]([13C](=[13C]1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
• Uses: Pentachloronitrobenzene-13C6, is the labeled analogue of Pentachloronitrobenzene (P237990), which can be used in the synthesis of chlorodibenzo-p-dioxins for toxilogical studies. It is also a pesticide used in the protection of crops from fungal bacterium.

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