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Pentachloronitrobenzene-[13C6]

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General Information
Catalog: BLP-003756
CAS: 362044-64-2
Molecular Formula: [13C]6Cl5NO2
Molecular Weight: 301.29

Chemical Structure

Synonyms	Pentachloronitrobenzene-13C6
IUPAC Name	1,2,3,4,5-pentachloro-6-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS	82-68-8 (unlabelled)
Canonical SMILES	C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
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
InChI Key	LKPLKUMXSAEKID-IDEBNGHGSA-N
Melting Point	142-143°C
Purity	98% by CP; 98% atom 13C
Density	1.8±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	White to Off-white Powder
Storage	Store at-20°C