valiphenal
- Product Namevaliphenal
- CAS283159-90-0
- MFC19H27ClN2O5
- MW398.88
- EINECS608-192-3
- MOL File283159-90-0.mol
Chemical Properties
| Melting point | >171°C (dec.) |
| Boiling point | 573.2±50.0 °C(Predicted) |
| Density | 1.175±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated) |
| form | Solid |
| pka | 11.35±0.46(Predicted) |
| color | Off-White to Pale Brown |
| BRN | 11327531 |
| Henry's Law Constant | 6.2×105 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Major Application | agriculture environmental |
| InChI | InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15,17-/m0/s1 |
| InChIKey | JEGGEMMIZCZSRN-LYKKTTPLSA-N |
| SMILES | C(C1C=CC(=CC=1)Cl)(CC(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C |
| LogP | 3.591 (est) |
| EPA Substance Registry System | Benzenepropanoic acid, 4-chloro-?-[[(2S)-3-methyl-2-[[(1-methylethoxy)carbonyl]amino]-1-oxobutyl]amino]-, methyl ester (283159-90-0) |
Safety Information
| WGK Germany | 1 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Chronic 2 Carc. 2 |
