|
|
| | MECOPROP-P Basic information |
| Product Name: | MECOPROP-P | | Synonyms: | (r)-2-(4-chloro-2-methylphenoxy)propanoicacid;2m-4xp;duplosankv;MECOPROP-P;DUPLOSAN(R) KV;Astix(TM);Mecoprop-P Solution, 100ppm;OPTICA(R) | | CAS: | 16484-77-8 | | MF: | C10H11ClO3 | | MW: | 214.65 | | EINECS: | 240-539-0 | | Product Categories: | | | Mol File: | 16484-77-8.mol |  |
| | MECOPROP-P Chemical Properties |
| Melting point | 95 °C | | Boiling point | 308.11°C (rough estimate) | | density | 1.2413 (rough estimate) | | vapor pressure | 0.001Pa at 25℃ | | refractive index | 1.5390 (estimate) | | Fp | >100 °C | | storage temp. | 0-6°C | | pka | 3.19±0.10(Predicted) | | Appearance | White to off-white Solid | | Optical Rotation | 16.53°(C=0.01 g/mL MeOH) | | Water Solubility | 880mg/L at 20℃ | | BRN | 5261833 | | Henry's Law Constant | 1.0×104 mol/(m3Pa) at 25℃, Mackay et al. (2006) | | Major Application | agriculture
environmental | | InChI | InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1 | | InChIKey | WNTGYJSOUMFZEP-SSDOTTSWSA-N | | SMILES | O(C1C=CC(=CC=1C)Cl)[C@H](C)C(=O)O | | LogP | -0.19 at 20℃ | | EPA Substance Registry System | (R)-Mecoprop (16484-77-8) |
| Hazard Codes | Xn,N | | Risk Statements | 22-41-51/53 | | Safety Statements | 13-26-37/39-46-61 | | RIDADR | UN3077 9/PG 3 | | WGK Germany | 2 | | RTECS | UE9755000 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1 |
| | MECOPROP-P Usage And Synthesis |
| Uses | Mecoprop-P has been used as a reference standard for identification of mecoprop enantiomer elution using chiral GC columns. It has also been used as a pesticide in a comparative study to detect the pesticide contamination of indoor air and human hair samples. | | Definition | ChEBI: The (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop. | | General Description | Mecoprop-P, a phenoxyalkanoic acid is widely used as herbicide. It forms colourless and odourless crystals. The (R)-isomer of mecoprop is the active herbicide site. It is generally used for postemergence control of broad-leaved weeds by translocating the herbicide to the roots. | | Flammability and Explosibility | Not classified | | Mechanism of action | Selective, systemic, absorbed through leaves and translocated to roots. Synthetic auxin. | | Synthesis | Starting from racemic α-chloropropionic acid, non-diastereomeric salts are formed with (1-naphthyl)ethylamine, a chiral amine. Stepwise crystallization is applied to resolve the salts to obtain (R)-α-chloropropionate. The salt is hydrolyzed with 3 mol/L aqueous sodium hydroxide solution to yield (R)-α-chloropropionic acid. Subsequently, this product undergoes a condensation reaction with 2-methyl-4-chlorophenol in an aqueous sodium hydroxide system at 90°C and a pressure of 0.25×10⁵ Pa for 25 hours, generating the salt of the target product. Finally, through acidification, extraction and recrystallization purification, Mecoprop-P with an optical purity of 95.9% and a yield of 97% is obtained. | | Pesticide Type | Herbicide |
| | MECOPROP-P Preparation Products And Raw materials |
|