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BROMUCONAZOLE

CAS 116255-48-2C13H12BrCl2N3OMW 377.1

BROMUCONAZOLE (CAS 116255-48-2) — formula C13H12BrCl2N3O, molecular weight 377.1.

Product Overview

CAS Number116255-48-2
Molecular FormulaC13H12BrCl2N3O
Molecular Weight377.1
Melting Point84 °C
LogPlog Kow = 3.24

Technical Profile

What this product is

BROMUCONAZOLE is a chemical compound with CAS registry number 116255-48-2 and molecular formula C13H12BrCl2N3O (molecular weight 377.1).

Identification

CAS number: 116255-48-2

Its molecular formula C13H12BrCl2N3O comprises 13 C, 12 H, 1 Br, 2 Cl, 3 N, 1 O atoms.

Also known as: BROMUCONAZOLE · 溴康唑

Frequently Asked Questions

What is the CAS number of BROMUCONAZOLE?

The CAS registry number of BROMUCONAZOLE is 116255-48-2.

What is the molecular formula and molecular weight of BROMUCONAZOLE?

Molecular formula C13H12BrCl2N3O, molecular weight 377.1.

What other names is BROMUCONAZOLE known by?

It is also registered under: BROMUCONAZOLE, 溴康唑.

PubChem Public Data

Independent reference data for BROMUCONAZOLE (CAS 116255-48-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number116255-48-2
PubChem CID3444
Molecular formulaC13H12BrCl2N3O
IUPAC name1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
UNII (FDA)PHS29ZMZ81

Computed descriptors

Molecular Weight377.1
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass374.95408
Monoisotopic Mass374.95408
Topological Polar Surface Area39.9
Heavy Atom Count20

Physicochemical values on record

Melting Point84 °C
SolubilityIn water, 50 mg/L at 25 °C
Density1.72 g/mL
DensityDensity (at 20 °C): 1.72 g/cm³
Vapor Pressure3X10-8 mm Hg at 25 °C
LogPlog Kow = 3.24
LogP3.24 (20 °C)
LogP3.24
Collision Cross Section168.75 Ų [M+H]+
Collision Cross Section171.03 Ų [M+H]+

Documented uses on record

    Agricultural fungicide; Ergosterol biosynthesis inhibiting triazoleSystemic 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.

    Synonyms and trade names

    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

    GHS hazard classification

    Reported hazard statementsH302 (100%), H400 (100%), H410 (50%), H361 (94.1%)

    H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

    H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

    What the public record says

    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.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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