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Pendimethalin-[d5]

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Pendimethalin-[d5]

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General Information
Catalog: BLP-012512
CAS: 1219803-39-0
Molecular Formula: C13H14D5N3O4
Molecular Weight: 286.34

Chemical Structure

Description	Pendimethalin-[d5] is the labelled analogue of Pendimethalin. Pendimethalin is an herbicide used to control annual grasses and certain broadleaf weeds.
Synonyms	Pendimethalin D5
IUPAC Name	3,4-dimethyl-2,6-dinitro-N-(2,2,3,4,4-pentadeuteriopentan-3-yl)aniline
Related CAS	40487-42-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C)C([2H])(C([2H])([2H])C)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
Canonical SMILES	CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
InChI	InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3/i5D2,6D2,10D
InChI Key	CHIFOSRWCNZCFN-SPPSLMSISA-N
Boiling Point	421.0±45.0 °C at 760 mmHg
Purity	95% by HPLC; 95% atom D
Density	1.2±0.1 g/cm3