Introduction：Basic information about Benalaxyl CAS 71626-11-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Benalaxyl Basic information
| Product Name: | Benalaxyl |
| Synonyms: | METHYL2-(N-PHENYLACETYL-N-(2,6-DIMETHYLPHENYL)AMINO)PROPANOATE;N-(2,6-dimethylphenyl)-N-(phenylacetyl)-DL-alanine;methyl-N-phenylacetyl-N-2,6-dimethyl phenyl-DL-alaninate;TF 3675;benalaxyl methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-DL-alaninate;Benalaxyi;Benalaxyl 250mg [71626-11-4];(±)-N-(2,6-Dimethylphenyl)-N-(phenylacetyl)alanine methyl ester |
| CAS: | 71626-11-4 |
| MF: | C20H23NO3 |
| MW: | 325.4 |
| EINECS: | 275-728-7 |
| Product Categories: | A-BPesticides;Alpha sort;Amide structureAlphabetic;B;BA - BH;Fungicides;FUNGICIDE;Pesticides&Metabolites;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals |
| Mol File: | 71626-11-4.mol |
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Benalaxyl Chemical Properties
| Melting point | 78-80°C |
| Boiling point | 463.59°C (rough estimate) |
| density | 1.2700 |
| vapor pressure | 6.6 x 10-5 Pa (25 °C) |
| refractive index | 1.5614 (estimate) |
| storage temp. | 0-6°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| Water Solubility | 28.6 mg l-1 (20 °C) |
| pka | 1.52±0.50(Predicted) |
| Merck | 13,1028 |
| BRN | 3001587 |
| Major Application | agriculture
environmental |
| InChI | 1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3 |
| InChIKey | CJPQIRJHIZUAQP-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C |
| NIST Chemistry Reference | Benalaxyl(71626-11-4) |
| EPA Substance Registry System | Benalaxyl (71626-11-4) |
Safety Information
| Hazard Codes | N |
| Risk Statements | 50/53 |
| Safety Statements | 60-61 |
| RIDADR | UN 3077 |
| WGK Germany | 2 |
| RTECS | AY5993200 |
| HS Code | 29242990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1 |
| Toxicity | LD50 in rats (mg/kg): 4200 orally; 1100 i.p.; LC50 (96 hr) in rainbow trout: 3.75 mg/l (Bergamaschi) |
Benalaxyl Usage And Synthesis
| Chemical Properties | The pure product is a colorless solid. MPa 78-80°C, relative density 1.27 (25°C), vapor pressure 0.67×10-3 Pa (25°C). Solubility at 25°C: acetone >500 g/kg, chloroform >500 g/kg, cyclohexanone >400 g/kg, hexane <50 g/kg, xylene >300 g/kg, dimethylformamide >500 g/kg, water 37 mg/L. Partition coefficient 2500. It is stable to heat and light and is stable in buffer solutions with a pH of 4-9. It readily hydrolyzes in concentrated alkaline media. |
| Uses | An acylamino acid fungicide. |
| Uses | Agricultural fungicide. |
| Uses | Benalaxyl is used for the control of Oomycetes on a wide rangeof crops, fruit, flowers, ornamentals and turf. |
| Definition | ChEBI: Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate is an alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate It is an alanine derivative, an aromatic amide, a carboxamide and a methyl ester. |
| Metabolic pathway | The fate of 14C-benalaxyl as affected by mancozeb isdetermined on the surface and in the tissues of grapeleaves 7 days after the single foliar application of amixture with mancozeb. The main oxidative schemewith rat liver microsomes is quite similar to thatobserved in plants. The only differences arerepresented by a further hydroxylation on the secondortho methyl group, and only traces of the metahydroxylation take place on the xylene ring. |
| Degradation | Benalaxyl is stable in aqueous media over a wide pH range but it is hydrolysedin concentrated alkali. Its DT50 at pH 9 and 25 °C is 86 days (PM).It is reasonably stable to sunlight in aqueous solution. When irradiatedin solution with UV light (254 nm) it is degraded with a half-life of55 minutes (Pirisi et al., 1996). Products were compounds 2 and 3 (seeScheme 1) which are common also to metalaxyl and furalaxyl. Thesewere detected in a non-labelled study. Under simulated sunlight itshalf-life was 167 days. |
Benalaxyl Preparation Products And Raw materials
| Raw materials | Nickel-->Cyclohexane-->2,6-Dimethylaniline-->Methyl propionate-->Methyl acetate-->Phenylacetyl chloride-->methyl N-(2,6-dimethylphenyl)-DL-alaninate |
| Preparation Products | Benalaxyl-M |
