BROMUCONAZOLE CAS 116255-48-2

Introduction：Basic information about BROMUCONAZOLE CAS 116255-48-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

BROMUCONAZOLE Basic information

• Product Name: BROMUCONAZOLE
• Synonyms: BROMOCONAZOLE;BROMUCONAZOL;BROMUCONAZOLE;GRANIT;VECTRA;1-((2rs,4rs,2rs,4sr)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1h-1,;1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1h-1,2,4-tria;1h-1,2,4-triazole,1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methy
• CAS: 116255-48-2
• MF: C13H12BrCl2N3O
• MW: 377.06
• Product Categories: ConazolesOrganic Building Blocks;A-BAlphabetic;Alpha sort;B;BI - BZPesticides;Fungicides;Nitrogen Compounds;Others;Pesticides&Metabolites
• Mol File: 116255-48-2.mol

BROMUCONAZOLE Chemical Properties

• Melting point: 84℃
• Boiling point: 504.3±60.0 °C(Predicted)
• density: 1.71
• vapor pressure: 50 mg 1^-1
• refractive index: 1.6110 (estimate)
• storage temp.: -20°C
• solubility: Chloroform (Slightly), Methanol (Slightly)
• pka: 2.75±0.10(Predicted)
• BRN: 8393967
• Major Application: agriculture environmental
• InChI: 1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
• InChIKey: HJJVPARKXDDIQD-UHFFFAOYSA-N
• SMILES: Clc1ccc(c(Cl)c1)C2(CC(Br)CO2)Cn3cncn3
• LogP: 3.240
• EPA Substance Registry System: Bromuconazole (116255-48-2)

Safety Information

• Hazard Codes: Xn
• Risk Statements: 22
• Safety Statements: 36
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• RTECS: XZ4130000
• HazardClass: 6.1
• PackingGroup: III
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Repr. 2
• Hazardous Substances Data: 116255-48-2(Hazardous Substances Data)
• Toxicity: LD50 orally in rats, mice: 365, 1151 mg/kg; LD50 dermally in rats: >2000 mg/kg; LD50 by inhalation in rabbits: >5 mg/l; LC50(96 hr) in rainbow trout, bluegill sunfish (mg/l): 1.7, 3.1 (Pepin)

BROMUCONAZOLE Usage And Synthesis

Uses

Bromuconazole is used on winter wheat and barley for the controlof foliar mildews, rusts and other diseases.

Uses

Agricultural fungicide.

Definition

ChEBI: A member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetablesand vines.

Metabolic pathway

Bromuconazole is a relatively stable compound which is not readilyhydrolysed, is quite persistent in soil and is subject to relatively slowphotodegradation. It is metabolised in plants but the parent compoundtends to be the major residue. However, bromuconazole is almost completelymetabolised in animals and birds (chickens) and its metabolitesare rapidly eliminated.
As with many other triazole fungicides, metabolism is very complex.Bromuconazole exists in four forms (two diastereoisomeric pairs). Thereare numerous sites available for biotransformation (lack of regioselectivity)and there is also a lack of stereoselectivity at most sites. For example,there are also four forms of metabolite 5 (4-hydroxybromuconazole) (twodiastereoisomeric pairs as with bromuconazole itself). Oxidation ofsecondary alcohols to ketones and the thiolation of certain sites furthercomplicate the picture. Thiolation presumably occurs via the involvementof glutathione but mercapturic acid conjugates (N-acetylcysteines)do not appear to have been isolated.
Bromuconazole has been the subject of an evaluation by the PesticideSafety Directorate of UK MAFF. All of the information presented below isderived from this source (PSD, 1996). All reported radiolabelled studieswere conducted using [¹⁴C-phenyl]bromuconazole.

Degradation

Bromuconazole was found to be stable in buffer at pH 5,7 and 9 at 25 °Cover 30 days.
Aqueous photolysis using filtered light to simulate mid-summer sun at50" N conducted at 25 °C and pH 4 caused slow photodegradation. TheDT₅₀ of bromuconazole was 18.2 days. Over 28 days a 10% yield of CO₂was obtained and six or more photoproducts were detected with noneaccounting for more than 8% of the total. No degradation occurred in darkcontrols.