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2,4-Dichlorophenol-[13C6]

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General Information
Catalog: BLP-005638
CAS: 1202864-83-2
Molecular Formula: [13C]6H4Cl2O
Molecular Weight: 168.96

Chemical Structure

Description	2,4-Dichlorophenol-[13C6] is intended for use as an internal standard for 2,4-Dichlorophenol. 2,4-Dichlorophenol is a chlorinated derivative of phenol and is used as an intermediate for the preparation of herbicide 2,4-dichlorophenoxyacetic acid.
IUPAC Name	2,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Related CAS	120-83-2 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1Cl)Cl)O
Canonical SMILES	C1=CC(=C(C=C1Cl)Cl)O
InChI	InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	HFZWRUODUSTPEG-IDEBNGHGSA-N
Melting Point	42-43°C
Purity	97% by CP; 99% atom 13C
Appearance	Solid