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

CAS: 98326-40-0

Ref. TR-B699497

Product Information

• Name: α-(Bromomethyl)-α-butyl-4-chlorobenzeneacetonitrile-d9
• Synonyms: 2-(bromomethyl)-2-(4-chlorophenyl)-3,3,4,4,5,5,6,6,6-nonadeuteriohexanenitrile

Description

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);

• Brand: TRC

Chemical properties

• Molecular weight: 309.677
• Formula: C₁₃D₉H₆BrClN
• Color/Form: Neat
• 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/i1D3,2D2,3D2,8D2
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C#N)(CBr)c1ccc(Cl)cc1