溴康唑

Description

BROMUCONAZOLE · CAS 116255-48-2 · C13H12BrCl2N3O. UNII PHS29ZMZ81. Melting Point: 84 °C; Solubility: In water, 50 mg/L at 25 °C; Density: 1.72 g/mL.

Identification

CAS Registry Number	116255-48-2
PubChem CID	3444
Molecular formula	C13H12BrCl2N3O
IUPAC name	1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
UNII (FDA)	PHS29ZMZ81

Computed Descriptors

Molecular Weight	377.1
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	374.95408
Monoisotopic Mass	374.95408
Topological Polar Surface Area	39.9
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Melting Point	84 °C
Solubility	In water, 50 mg/L at 25 °C
Density	1.72 g/mL
Density	Density (at 20 °C): 1.72 g/cm³
Vapor Pressure	3X10-8 mm Hg at 25 °C
LogP	log Kow = 3.24
LogP	3.24 (20 °C)
LogP	3.24
Collision Cross Section	168.75 Ų [M+H]+
Collision Cross Section	171.03 Ų [M+H]+

Physical description & handling notes

• COLOURLESS CRYSTALS OR WHITE POWDER.
• Colorless powder
• White to off-white powder
• Odorless
• No boiling point at normal pressure; decomposes at 194 °C
• Acetone 32 g/100 ml; dichloromethane 50 g/100 ml; ethyl acetate 23 g/100 ml; n-hexane 0.2 g/100ml; MeOH 30 g/100 ml; 1-octanol 6 g/100 ml; 2-propanol 6 g/100 ml; toluene 22 g/100 ml; water (distilled) 61 mg/L; water (pH 5) 52 mg/L

GHS Hazard Classification

Reported hazard statements	H302 (100%), H400 (100%), H410 (50%), H361 (94.1%)

Documented Uses

• Agricultural fungicide; Ergosterol biosynthesis inhibiting triazole
• Systemic fungicide generally applied by foliar spray, at a max. rate of 300 g/ha, against Ascomycetes, Basidiomycetes and Fungi Imperfecti including Alternaria, Fusarium, black and yellow Sigatoka, and Pseudocercosporella spp. in cereals, fruit, vines, vegetables, tropical crops, turf and ornamentals.
• Fungicide; For use on cereals, fruit, tropical crops, vegetables, vines, turf, ornamentals.
• A. Greiner, R. Pepin, European Patent Office patent 258,161(1988 to Rhone-Poulenc)
• Produced by reaction of 1-bromomethoxyacetylene in toluene with ethylmagnesium bromide in THF, followed by the addition of 2,4-dichlorobenzoylmethyl chloride to give 2,4-dichlorophenyl-2'-chloromethyl-2'-hydroxy-2'-bromomethoxyacetylene. The product is then hydrogenated and treated with 4-methylphenylsulfonic acid in toluene to give 2-chloromethyl-2-(2,4-dichlorophenyl)-2,5-dihydrofuran, which is treated with 1,2,4-triazole in N-methylpyrrolidone in the presence of potassium carbonate
• Metabolism in animals (rat, cow, hen) is extensive. Nearly 60 different metabolites were detected in the rat, 57 of which had structures assigned. No evidence was found to suggest that the compound and/or its metabolites accumulate in the organs and tissues of those species, even following repeated administration.

Synonyms

Bromuconazole; 116255-48-2; GRANIT; DTXSID9032531; PHS29ZMZ81; VECTRA; 1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole; DTXCID7012531; CHEBI:81900; 1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole; 1H-1,2,4-Triazole, 1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-; RefChem:570413; 408-060-3; Bromuconazol; Bromuconazole [ISO]; 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

Frequently Asked Questions

What are the CAS number and molecular formula of BROMUCONAZOLE?

CAS 116255-48-2; molecular formula C13H12BrCl2N3O; molecular weight — g/mol.

What other names is BROMUCONAZOLE known by?

Bromuconazole, 116255-48-2, GRANIT, DTXSID9032531, PHS29ZMZ81, VECTRA.

Is BROMUCONAZOLE classified as hazardous?

Hazard statements reported: H302, H400, H410, H361.

What are the key physical properties of BROMUCONAZOLE?

Melting Point: 84 °C; Solubility: In water, 50 mg/L at 25 °C; Density: 1.72 g/mL; Density: Density (at 20 °C): 1.72 g/cm³.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.