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Captan-[d6]

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General Information
Catalog: BLP-001583
CAS: 1330190-00-5
Molecular Formula: C9H2D6Cl3NO2S
Molecular Weight: 306.63

Chemical Structure

Description	Captan-[d6] is the labelled analogue of Captan, which is a fungicide.
Synonyms	Captan-3,3,4,5,6,6-d6; 2-Trichloromethylsulfanyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione-D6; Trimegol-d6; Ugecap-d6
IUPAC Name	4,4,5,6,7,7-hexadeuterio-2-(trichloromethylsulfanyl)-3a,7a-dihydroisoindole-1,3-dione
Related CAS	133-06-2 (unlabelled)
Canonical SMILES	C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
InChI	InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2/i1D,2D,3D2,4D2
InChI Key	LDVVMCZRFWMZSG-TZCZJOIZSA-N
Melting Point	172-174°C
Purity	>95%; >98% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C