80443-41-0

Basic information

• Product Name: 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol
• Synonyms: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol;TEBUCONAZOLE;2-T-BUTYL-4-(4-CHLOROPHENYL)-1-(1,2,4-TRIAZOLE-1-YL)-2-BUTANOL;2-tert-Butyl-4-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-2-butanol;Tebuconazole (unspecified)
• CAS NO: 80443-41-0
• Molecular Formula: C₁₆H₂₂ClN₃O
• Molecular Weight: 307.82
• Mol File: 80443-41-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 102-105 ºC
• Boiling Point: 476.9 °C at 760 mmHg
• Flash Point: 242.2 °C
• Appearance: /
• Density: 1.14 g/cm³
• Vapor Pressure: 7.6E-10mmHg at 25°C
• Refractive Index: 1.564
• Water Solubility: 32 MG/L AT 20 ºC
• CAS DataBase Reference: 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol(80443-41-0)
• EPA Substance Registry System: 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol(80443-41-0)

Safety Data

• Hazard Codes: Xn:Harmful;;
• Statements: R22:; R51/53:; R63:
• Safety Statements: S2:; S22:; S36/37:; S61:
• Hazardous Substances Data: 80443-41-0(Hazardous Substances Data)

Usage

Chemical Properties

Colourless to light brown powder. Solubility in water Dispersible; soluble in acetone. Melting Point: 102.4-104.7°C.

Uses

Tebuconazole is a broad-spectrum triazole fungicide. Its mechanism of action is a sterol demethylation inhibitor. Seed treatment or foliar spraying can prevent and control cereal crop rust, powdery mildew, smut and other diseases.

Application

Tebuconazole is used to produce Tebuconazole formulation product. It is a fungicide for the control of smuts, bunt, seed rots and seedling blights on barley, oats and wheat as a seed treatment and for the control of Fusarium Head Blight on wheat as a post-emergent treatment.

Toxicology

Oral acute oral LD50 for rat 3776mg/kg; Acute dermal LD50 for rat 2011 mg/kg; Acute inhalation LC50 for rat 2.51 mg/l.Mild irritation to the cornea and conjunctiva with all remarkable irritation resolving within 7 days. Rabbit: Slight dermal irritant. Guinea Pig: Positive dermal sensitizer.

InChI:InChI=1/C16H22ClN3O/c1-15(2,3)16(10-21,20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

Upstream product

• 107534-96-3 tebuconazole 
• 41253-21-8 sodium triazole 
• 119298-84-9 Methanesulfonic acid (S)-2-[2-(4-chloro-phenyl)-ethyl]-2-hydroxy-3,3-dimethyl-butyl ester 
• 120687-98-1 Methanesulfonic acid (R)-2-[2-(4-chloro-phenyl)-ethyl]-2-hydroxy-3,3-dimethyl-butyl ester 
• 119298-82-7 (S)-1-(4-Chloro-phenyl)-4,4-dimethyl-3-((2R,4aR,7R,8aR)-4,4,7-trimethyl-hexahydro-1-oxa-3-thia-naphthalen-2-yl)-pentan-3-ol 
• 119364-84-0 (R)-1-(4-Chloro-phenyl)-4,4-dimethyl-3-((2R,4aR,7R,8aR)-4,4,7-trimethyl-hexahydro-1-oxa-3-thia-naphthalen-2-yl)-pentan-3-ol 
• 120687-96-9 (R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-hydroxy-3,3-dimethyl-butyraldehyde 
• 120687-99-2 (S)-2-[2-(4-Chloro-phenyl)-ethyl]-2-hydroxy-3,3-dimethyl-butyraldehyde 
• 120687-97-0 (R)-2-[2-(4-Chloro-phenyl)-ethyl]-3,3-dimethyl-butane-1,2-diol 
• 119298-83-8 (S)-2-[2-(4-Chloro-phenyl)-ethyl]-3,3-dimethyl-butane-1,2-diol 
• 66346-01-8 1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one 
• 92572-79-7 2-(2,2-dimethylpropanoyl)-1,3-oxathiane 
• 6529-53-9 1-(2-bromoethyl)-4-chlorobenzene 

Relevant articles and documents

Preparation of a novel bridged bis(β-cyclodextrin) chiral stationary phase by thiol-ene click chemistry for enhanced enantioseparation in HPLC

A bridged bis(β-cyclodextrin) ligand was firstly synthesized via a thiol-ene click chemistry reaction between allyl-ureido-β-cyclodextrin and 4-4′-thiobisthiophenol, which was then bonded onto a 5 μm spherical silica gel to obtain a novel bridged bis(β-cyclodextrin) chiral stationary phase (HTCDP). The structures of HTCDP and the bridged bis(β-cyclodextrin) ligand were characterized by the 1H nuclear magnetic resonance (1H NMR), solid state 13C nuclear magnetic resonance (13C NMR) spectra spectrum, scanning electron microscope, elemental analysis, mass spectrometry, infrared spectrometry and thermogravimetric analysis. The performance of HTCDP in enantioseparation was systematically examined by separating 21 chiral compounds, including 8 flavanones, 8 triazole pesticides and 5 other common chiral drugs (benzoin, praziquantel, 1-1′-bi-2-naphthol, Tr?ger's base and bicalutamide) in the reversed-phase chromatographic mode. By optimizing the chromatographic conditions such as formic acid content, mobile phase composition, pH values and column temperature, 19 analytes were completely separated with high resolution (1.50-4.48), in which the enantiomeric resolution of silymarin, 4-hydroxyflavanone, 2-hydroxyflavanone and flavanone were up to 4.34, 4.48, 3.89 and 3.06 within 35 min, respectively. Compared to the native β-CD chiral stationary phase (CDCSP), HTCDP had superior enantiomer separation and chiral recognition abilities. For example, HTCDP completely separated 5 other common chiral drugs, 2 flavanones and 3 triazole pesticides that CDCSP failed to separate. Unlike CDCSP, which has a small cavity (0.65 nm), the two cavities in HTCDP joined by the aryl connector could synergistically accommodate relatively bulky chiral analytes. Thus, HTCDP may have a broader prospect in enantiomeric separation, analysis and detection. This journal is

Synthesis of magnetic multiwall carbon nanotubes for enantioseparation of three pesticide residues in fruits and vegetables by chiral liquid chromatography

In this study, magnetic multiwalled carbon nanotubes (MMWCNTs) were synthesized and used as adsorbent for preconcentration of chiral pesticide residues (including epoxiconazole, tebuconazole, and metalaxyl) in lettuce, cabbage, and apple. Several parameters affecting the treatment efficiency were investigated, including extraction solvent and absorption solvent. Under the optimal conditions, all three chiral pesticides showed decent enantiomeric separation (Rs?>?1.48). The linearity of each target was good with the correlation coefficient (r2) being greater than 0.9923. The average recoveries of the three spiked levels were 73.4% to 110.9% with repeatability (RSDr) less than 7.6%, and the limit of quantification of the method was 0.10 to 0.25?mg·kg?1. The results indicated that MMWCNTs had a good purifying effect, which can be applied as an effective pretreatment tool for the determination of residual chiral pesticides in fruits and vegetables.

Die Enantiomere des Azolfungizids HWG-1608 - asymmetrische Synthese eines 2-Hydroxyethyl-Azolfungizids

-