CAS Number88671-89-0
Synonymsα-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile; Systhane Technical; rac-(2R)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(4-Chlorphenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanonitril; Synthane 12E; 2-(4-Chlorophényl)-2-(1H-1,2,4-triazol-1-ylméthyl)hexanenitrile; Nova W; 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile; Systhane; Systhane 6 Flo; a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile; Rally; (RS)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile; MFCD00144818; T5NN DNJ A1X4&CN&R DG; Myclobutanil
Molecular FormulaC15H17ClN4
Molecular Weight288.78
Purity98%
Density1.2±0.1 g/cm3
Boiling Point465.2±55.0 °C at 760 mmHg
Melting Point63-68°C
AppearanceLight yellow solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 88671-89-0 |
| Catalog No. | 2A-9011528 |
| Chinese Name | 腈菌唑 |
| Synonyms | α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile; Systhane Technical; rac-(2R)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(4-Chlorphenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanonitril; Synthane 12E; 2-(4-Chlorophényl)-2-(1H-1,2,4-triazol-1-ylméthyl)hexanenitrile; Nova W; 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile; Systhane; Systhane 6 Flo; a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile; Rally; (RS)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile; MFCD00144818; T5NN DNJ A1X4&CN&R DG; Myclobutanil |
| Molecular Formula | C15H17ClN4 |
| Molecular Weight | 288.78 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 465.2±55.0 °C at 760 mmHg |
| Melting Point | 63-68°C |
| Appearance | Light yellow solid |
| Water Solubility | 142 mg/L (25 ºC) |
| Storage Condition | Refrigerated, airtight, dry place at 0-6°C |
| Application | Myclobutanil is a conazole antifungal agent widely used as a pesticide. |
| HTC | 2933990015 |
| PubChem ID | 329754963 |
| MDL Number | MFCD00144818 |
| SMILES | CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2 |
| InChI | 1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3 |
| InChI Key | HZJKXKUJVSEEFU-UHFFFAOYSA-N |
| Beilstein/REAXYS | 7138849 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | Transport |
| MSDS | msds/11528_1_88671_89_0.pdf |
| Bioactivity | Myclobutanil is a conazole class fungicide widely used as an agrichemical. Related Catalog Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Infection In Vitro Myclobutanil reduces cell viability to <50% at 100 ppm and to <10% at 500 ppm. Myclobutanil promotes a slight, but significant, increase in fatty acid (FA)-induced steatotosis at doses from 1 to 100 ppm. Anti-apoptotic biomarkers are significantly reduced by Myclobutanil[1]. Kinase Assay To further evaluate apoptosis, cell extracts are collected after 24 h of exposure to Myclobutanil, centrifuged, and analyzed with a multiplex biometric ELISA-based immunoassay containing dyed microspheres conjugated to a monoclonal antibody specific for the target protein. Apoptosis biomarkers are BCL-xL/Bak dimer and Mcl-1/Bak dimer, quantified using RBM Apoptosis Panel 3. Each experiment is performed in triplicate and apoptosis biomarker levels determined using the Bio-Plex Array Reader. The analytic concentrations are calculated using a standard curve, according to the manufacturer's instructions[1]. Cell Assay The hepatoma cell line HepG2 is used in this study. The cells are grown on tissue culture plates in an incubator with a humidified atmosphere (95% air/5% CO2 v/v) at 37°C. Steatosis is induced by incubating the hepatocytes with 6 mM of a 1:1 v/v mixture of oleic (18:1) and linoleic (18:2) fatty acids (Fas) for 24 h. After a wash with PBS, cells are exposed for an additional 24 h to Myclobutanil at 0.1, 1, 10, 100 or 500 ppm. Cytotoxicity is assessed in HepG2 cells (1.0×105 cells/well in 24-well plates) by measuring the reduction of the tetrazolium dye 3-(4, 5-dimethylthiazol-2-yl)-5-(3carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium (MTT)[1]. References [1]. Stellavato A, et al. Myclobutanil worsens nonalcoholic fatty liver disease: An in vitro study of toxicity and apoptosis on HepG2 cells. Toxicol Lett. 2016 Nov 16;262:100-104. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 465.2±55.0 °C at 760 mmHg Melting Point 63-68°C Molecular Formula C15H17ClN4 Molecular Weight 288.775 Flash Point 235.2±31.5 °C Exact Mass 288.114166 PSA 54.50000 LogP 2.82 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.589 InChIKey HZJKXKUJVSEEFU-UHFFFAOYSA-N SMILES CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1 Storage condition 0-6°C Water Solubility 142 mg/L (25 ºC) |
| Use of | Myclobutanil is a conazole class fungicide widely used as an agrichemical. Properties Name myclobutanil Synonym More Synonyms Myclobutanil Biological Activity Description Myclobutanil is a conazole class fungicide widely used as an agrichemical. Related Catalog Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Infection In Vitro Myclobutanil reduces cell viability to <50% at 100 ppm and to <10% at 500 ppm. Myclobutanil promotes a slight, but significant, increase in fatty acid (FA)-induced steatotosis at doses from 1 to 100 ppm. Anti-apoptotic biomarkers are significantly reduced by Myclobutanil[1]. References Chemical & Physical Properties Exact Mass 288.114166 PSA 54.50000 Index of Refraction 1.589 InChIKey HZJKXKUJVSEEFU-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | S. Import and export pesticide registration certificate |
| Transport Info | Product name: Purity: 98.5% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Myclobutanil) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Myclobutanil) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Myclobutanil) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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