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Bentazon-[d7]

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General Information
Catalog: BLP-011669
CAS: 131842-77-8
Molecular Formula: C10H5D7N2O3S
Molecular Weight: 247.32

Chemical Structure

Description	Bentazon-[d7] is the labelled analogue of Bentazon. Bentazon is a chemical compound of the thiadiazine class that is used as an herbicide.
Synonyms	Bentazon-D7; 3-(1-Methylethyl-d7)-2,1,3-benzothiadiazin-4(3H)-one 2,2-Dioxide; Basagran-d7; Basagran 480-d7; Basamais-d7; Bazargan-d7; Bendioxide-d7; Corsar-d7; Leader-d7
IUPAC Name	3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-one
Related CAS	25057-89-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N1C(=O)C2=CC=CC=C2NS1(=O)=O
Canonical SMILES	CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O
InChI	InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3/i1D3,2D3,7D
InChI Key	ZOMSMJKLGFBRBS-QXMYYZBZSA-N
Melting Point	>100°C (dec.)
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Off-white to Beige Solid
Storage	Store at -20°C