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| IUPAC Name: | 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile |
| Description: | Myclobutanil is an fungicide used on a wide range of food crops. Myclobutanil inhibits the biosynthesis of ergosterol, a critical componet of fungal cell membranes. Useful in cannabis testing kits as a component of pesticide mixes (P698235). |
| Molecular Weight: | 288.78 |
| Molecular Formula: | C15H17ClN4 |
| Canonical SMILES: | CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl |
| InChI: | InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3 |
| InChI Key: | HZJKXKUJVSEEFU-UHFFFAOYSA-N |
| Boiling Point: | 202 to 208 °C at 1 mm Hg |
| Melting Point: | 86-88ºC |
| Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Off-White to Light Beige Solid |
| Storage: | 20°C |
| 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). |
| Stability: | Stable under normal storage conditions |
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