Dimethomorph
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CAS:
Description:
Dimethomorph can be used as a fungicide in agriculture.
| CID | 5889665 |
| Synonyms | 3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one; 4-[3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]morpholine; Festival C; Forum |
| IUPAC Name | 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one |
| Molecular Weight | 387.86 |
| Molecular Formula | C21H22ClNO4 |
| Canonical SMILES | COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC |
| InChI | InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3 |
| InChIKey | QNBTYORWCCMPQP-UHFFFAOYSA-N |
| Isomeric SMILES | COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC |
| EC Number | 404-200-2 |
| UNII | NU7EH56J7K |
Producut details
| Grade | 95%TC |
| Toxicity | Not Likely to be Carcinogenic to Humans. |
| Appearance | Off-white Solid |
| Boiling Point | 584.9±50.0°C at 760 mmHg |
| Melting Point | 124-127°C |
| Water | In water (mg/L at 20 °C): 81.1 at pH 4; 49.2 at pH 7; 41.8 at pH 9 |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | 95% |
| Density | 1.2±0.1 g/cm3 |
| Solubility | Soluble in Chloroform (Slightly), Methanol (Slightly) |
| Storage | Store at 2-8°C |
| Complexity | 512 |
| Exact Mass | 387.1237359 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Monoisotopic Mass | 387.1237359 |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48 |
| XLogP3 | 3.9 |
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