CAS 98326-40-0

Formula: C13H15BrClN

InChI: InChI=1S/C13H15BrClN/c1-2-3-8-13(9-14,10-16)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3

InChI key: HBKJAXWFUVAFLD-UHFFFAOYSA-N

SMILES: CCCCC(CBr)(C#N)C1=CC=C(C=C1)Cl

α-(Bromomethyl)-α-butyl-4-chlorobenzeneacetonitrile-d9

Controlled Product

CAS: 98326-40-0

Applications α-(Bromomethyl)-α-butyl-4-chlorobenzeneacetonitrile-d9 is an intermediate used in the synthesis of Myclobutanil-d9 (M831402), which is the labeled analogue of Myclobutanil (M831400), an fungicide used on a wide range of food crops. Myclobutanil inhibits the biosynthesis of ergosterol, a critical component of fungal membranes.
References Kumar, A., et al.: J. Mycol. Plant. Pathnol., 42, 443 (2012); An, Y.R., et al.: Toxicol., 303, 94 (2013); Keinath, A.P., et al.: Crop. Protect., 42, 338 (2012);

Formula: C₁₃D₉H₆BrClN

Color and Shape: Neat

Molecular weight: 309.677

Ref: TR-B699497