Metalaxyl
Category:
CAS:
Description:
Metalaxyl is an agricultural fungicide used in food crops, shrubs and turf.
| CID | 42586 |
| Deprecated CAS | 102256-63-3, 1135441-62-1 |
| Synonyms | Ridomil; Allegiance; Metanaxin; N-(2,6-Dimethylphenyl)-N-(2-methoxyacetyl)alanine Methyl Ester |
| IUPAC Name | methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate |
| Molecular Weight | 279.33 |
| Molecular Formula | C15H21NO4 |
| Canonical SMILES | CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC |
| InChI | InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 |
| InChIKey | ZQEIXNIJLIKNTD-UHFFFAOYSA-N |
| EC Number | 260-979-7 |
Producut details
| Grade | 98%TC |
| Toxicity | Group E Evidence of Non-carcinogenicity for Humans. The potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Appearance | Pale Beige Solid |
| Boiling Point | 394.3°C at 760 mmHg |
| Melting Point | 72-73°C |
| Water | In water, 8,400 mg/L at 20 °C |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | >95% |
| Density | 1.117 g/cm3 |
| Complexity | 335 |
| Exact Mass | 279.14705815 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Monoisotopic Mass | 279.14705815 |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8 |
| XLogP3 | 1.6 |
QC Data
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