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2,4-Dichlorophenoxyacetic acid-[13C6]

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General Information
Catalog: BLP-008272
CAS: 150907-52-1
Molecular Formula: C2[13C]6H6Cl2O3
Molecular Weight: 226.99

Chemical Structure

Description	2,4-dichlorophenoxyacetic acid-[13C6] is the labelled analogue of 2,4-dichlorophenoxyacetic acid, which is a synthetic auxin, a class of plant growth regulator and herbicide.
Synonyms	2,4-dichlorophenoxyacetic acid (ring-13C6); 2-(2,4-Dichlorophenoxy)acetic Acid-13C6; 2,4-D-13C6; Diclordon-13C6; Dicopur-13C6; Esterone-13C6; Fernimine-13C6; Foredex 75-13C6; Trinoxol-13C6
IUPAC Name	2-(2,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxyacetic acid
Related CAS	94-75-7 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1Cl)Cl)OCC(=O)O
Canonical SMILES	C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
InChI	InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i1+1,2+1,3+1,5+1,6+1,7+1
InChI Key	OVSKIKFHRZPJSS-JTZKEMBVSA-N
Melting Point	>130°C
Purity	≥98%; ≥99% atom 13C
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C