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3,5,6-Trichloro-2-pyridinol-[13C5]

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General Information
Catalog: BLP-002672
CAS: 1330171-47-5
Molecular Formula: [13C]5H2Cl3NO
Molecular Weight: 203.40

Chemical Structure

Description	3,5,6-Trichloro-2-pyridinol-[13C5] is the labelled analogue of 3,5,6-Trichloro-2-pyridinol. 3,5,6-Trichloro-2-pyridinol is a metabolite of the agrochemical chlorpyrifos. It has a role as a human urinary metabolite and a human xenobiotic metabolite.
Synonyms	3,5,6-Trichloro-2-pyridinol 13C5; 3,5,6-Trichloro-2(1H)-pyridinone-13C5; 2,3,5-Trichloro-6-hydroxypyridine-13C5; 2-Hydroxy-3,5,6-trichloropyridine-13C5; 3,5,6-Trichloro-2-hydroxypyridine-13C5; 3,5,6-Trichloropyridine-2-ol-13C5; TCP-13C5
IUPAC Name	3,5,6-trichloro-(2,3,4,5,6-13C5)1H-pyridin-2-one
Related CAS	6515-38-4 (unlabelled)
Isomeric SMILES	[13CH]1=[13C]([13C](=O)N[13C](=[13C]1Cl)Cl)Cl
Canonical SMILES	C1=C(C(=O)NC(=C1Cl)Cl)Cl
InChI	InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1
InChI Key	WCYYAQFQZQEUEN-CVMUNTFWSA-N
Melting Point	165-167 °C
Purity	95%; > 98% atom 13C
Solubility	Soluble in Chloroform, DMSO
Appearance	Brown Solid
Storage	2-8 °C