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Dicamba-[13C6]

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General Information
Catalog: BLP-000208
CAS: 1173023-06-7
Molecular Formula: C2[13C]6H6Cl2O3
Molecular Weight: 226.99

Chemical Structure

Description	Dicamba-[13C6], is the labelled analogue of Dicamba. Dicamba is a broad-spectrum herbicide first registered in 1967.
Synonyms	3,6-Dichloro-2-methoxybenzoic acid-(ring-13C6); Dicamba-(phenyl-13C6)
IUPAC Name	2,5-dichloro-6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	1918-00-9 (unlabelled)
Isomeric SMILES	CO[13C]1=[13C]([13CH]=[13CH][13C](=[13C]1C(=O)O)Cl)Cl
Canonical SMILES	COC1=C(C=CC(=C1C(=O)O)Cl)Cl
InChI	InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)/i2+1,3+1,4+1,5+1,6+1,7+1
InChI Key	IWEDIXLBFLAXBO-WBJZHHNVSA-N
Melting Point	112-116 °C
Purity	98% (CP); 98% atom D
Appearance	Colorless Liquid
Storage	Store at -20°C