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Fenbuconazole-[d5]

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General Information
Catalog: BLP-019814
CAS: 1398066-06-2
Molecular Formula: C19H12D5ClN4
Molecular Weight: 341.85

Chemical Structure

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