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| | ISOPROPALIN Basic information |
| Product Name: | ISOPROPALIN | | Synonyms: | ISOPROPALIN PESTANAL (4-ISOPROPYL- 2,6-D;isopropaline;N-(4-Isopropyl-2,6-dinitrophenyl)-N,N-dipropylamine;Paarlan;Isopropalin 0;PAARLAN(R);ISOPROPALIN;EL-179 | | CAS: | 33820-53-0 | | MF: | C15H23N3O4 | | MW: | 309.36 | | EINECS: | 251-690-7 | | Product Categories: | | | Mol File: | 33820-53-0.mol |  |
| | ISOPROPALIN Chemical Properties |
| Boiling point | 449.64°C (rough estimate) | | density | 1.1220 (rough estimate) | | refractive index | 1.5600 (estimate) | | Fp | 40 °C | | storage temp. | 0-6°C | | form | Liquid | | pka | 1.27±0.50(Predicted) | | Water Solubility | 0.1mg/L(25 ºC) | | BRN | 2762577 | | Henry's Law Constant | 1.9×10-1 mol/(m3Pa) at 25℃, Mackay et al. (2006) | | InChI | 1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3 | | InChIKey | NEKOXWSIMFDGMA-UHFFFAOYSA-N | | SMILES | CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(C)C)[N+]([O-])=O | | EPA Substance Registry System | Isopropalin (33820-53-0) |
| Hazard Codes | N | | Risk Statements | 10-50/53 | | Safety Statements | 60-61 | | RIDADR | 1993 | | WGK Germany | 3 | | RTECS | BX9286000 | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29214990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1
Flam. Liq. 3 | | Hazardous Substances Data | 33820-53-0(Hazardous Substances Data) |
| | ISOPROPALIN Usage And Synthesis |
| Uses | Herbicide. | | Definition | ChEBI: Isopropalin is a C-nitro compound. | | Production Methods | The industrial production of isopropalin begins with the nitration of an aromatic ring, typically a substituted aniline, to introduce nitro groups at the 2 and 6 positions. This step is followed by alkylation to add an isopropyl group at the 4-position, enhancing the herbicide’s lipophilicity and soil-binding properties. The nitro groups are then reduced to amines, which are subsequently dialkylated using propyl halides to form the final compound, which is subsequently purified through solvent extraction and crystallisation to ensure high chemical purity. | | Mechanism of action | Selective. Inhibition of microtubular assembly | | Pesticide Type | Herbicide |
| | ISOPROPALIN Preparation Products And Raw materials |
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