Spirodiclofen
Category:
CAS:
Description:
Spirodiclofen, a tetronic acid derivative, is a broad spectrum acaricide.
| CID | 177863 |
| Synonyms | [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate spirodiclofen 148477-71-8 CHEBI:38639 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate Envidor Spirodiclofen [ISO] UNII-3X7G31F5MX SCHEMBL2723 |
| IUPAC Name | [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate |
| Molecular Weight | 411.32 |
| Molecular Formula | C21H24Cl2O4 |
| Canonical SMILES | CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl |
| InChI | 1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3 |
| InChIKey | DTDSAWVUFPGDMX-UHFFFAOYSA-N |
| EC Number | 604-636-5 |
| UNII | 3X7G31F5MX |
Producut details
| Formulation | 24G/LSC |
| Grade | 97%TC 98%TC |
| Appearance | Yellow crystal |
| Boiling Point | 550.2±50.0 °C | Condition: Press: 760 Torr |
| Melting Point | >234°C |
| Shelf Life | 2 years |
Chemical and Physical Properties
| Purity | > 95% |
| Density | 1.28 g/cm3 |
| Solubility | Soluble to 28mg/mL in DMSO |
| Storage | Store in a cool and dry place and at 0 - 4°C for short term (days to weeks) or -32°C for long term (months to years). |
| Complexity | 634 |
| Exact Mass | 410.1051646 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Monoisotopic Mass | 410.1051646 |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6 |
| XLogP3 | 5.9 |
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