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Fenbuconazole-[d5]

General Information
Catalog: BLP-019814
CAS: 1398066-06-2
Molecular Formula: C19H12D5ClN4
Molecular Weight: 341.85
Chemical Structure
Fenbuconazole-[d5]
Description Isotope labelled Fenbuconazole is a conazole based fungicide used as a spray for the control of leaf spot, yellow and brown rust, powdery mildew and net blotch on wheat and barley and apple scab, pear scab and apple powdery mildew on apples and pears.
Synonyms Fenethanil-d5; Indar-d5; Indar 5-d5; RH 7592-d5; 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile-d5; α-[2-(4-Chlorophenyl)ethyl]-α-phenyl-1H-1,2,4-triazole-1-propanenitrile-d5;
IUPAC Name 4-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N)[2H])[2H]
Canonical SMILES C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N
InChI InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/i1D,2D,3D,4D,5D
InChI Key RQDJADAKIFFEKQ-RALIUCGRSA-N
Melting Point 125-127°C
Solubility Chloroform (Slightly), Methanol (Slightly)
Appearance White to Off-White Solid
Storage -20°C

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