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1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole

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Identification
Molecular formula
C13H11BrCl2N3O
CAS number
121875-89-6
IUPAC name
1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole
State
State

At room temperature, it is typically a solid. Due to its molecular structure, it is stable under normal conditions and retains its solid-state unless subjected to temperatures near its melting point.

Melting point (Celsius)
135.20
Melting point (Kelvin)
408.35
Boiling point (Celsius)
430.00
Boiling point (Kelvin)
703.15
General information
Molecular weight
357.45g/mol
Molar mass
357.4470g/mol
Density
1.5800g/cm3
Appearence

The compound typically appears as a white to off-white solid. Its crystalline form can vary based on the method of crystallization and the presence of any impurities, but generally, it appears as a fine powder or crystalline solid under standard conditions.

Comment on solubility

Solubility Insights for 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole

The solubility of the compound 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole (C13H11BrCl2N3O) can be characterized by several key factors:

  • Polarity: The presence of multiple electronegative atoms such as bromine, chlorine, and nitrogen contributes to the overall hydrophilicity of the compound. This may enhance its solubility in polar solvents like water.
  • Functional Groups: The incorporation of the triazole ring and the tetrahydrofuran structure suggests that the compound can interact favorably with various solvent molecules through hydrogen bonding and dipole-dipole interactions.
  • Temperature Effect: Solubility might increase with temperature; therefore, performing solubility tests at elevated temperatures could provide different insights into its behavior in solution.
  • Common Solvents: It is likely that this compound exhibits better solubility in organic solvents, such as dimethyl sulfoxide (DMSO) or acetone, compared to pure water due to its complex structure.

In summary, the solubility of this compound is influenced by its distinct structural features and the nature of potential solvents. As with many organic compounds, understanding the solubility profile requires careful analysis of interaction mechanisms and environmental conditions.

Interesting facts

Interesting Facts about 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole

This fascinating compound is a member of the triazole family, known for its diverse applications in pharmaceuticals and agriculture. As a scientist or chemistry student, here are some compelling insights into this compound:

  • Unique Structure: The molecule contains a triazole ring, which is a five-membered heterocycle that includes three nitrogen atoms. This structural feature contributes significantly to its biological activity and versatility.
  • Role in Agriculture: Compounds like this one often serve as fungicides, effectively controlling the growth of harmful fungi on crops, thereby enhancing agricultural yield.
  • Pharmaceutical Potential: The presence of bromine and chlorine substituents suggests potential interactions with biological targets, making it a candidate for drug development, particularly in treating fungal infections.
  • Chemical Synthesis: The synthesis of such compounds generally requires careful manipulation of reagents and conditions, exemplifying the art and science behind creating complex organic molecules.
  • Research Significance: Research involving this compound often uncovers new pathways for drug resistance in pathogens, leading to a better understanding of how to combat these evolving challenges.

For anyone venturing into the world of organic chemistry, studying compounds like 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole can open doors to exciting discoveries and innovations in both medicine and agriculture. As its usage evolves, so too does our appreciation for the intricate design and function of such chemicals in our daily lives.

Synonyms
Bromuconazole
116255-48-2
Bromuconazol
Bromuconazole [ISO]
CHIPCO' Bromuconazole
HSDB 7419
PHS29ZMZ81
GRANIT
DTXSID9032531
CHEBI:81900
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
BROMUCONAZOLE [MI]
Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-
BROMUCONAZOLE [HSDB]
1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole
DTXCID7012531
1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole
Bromuconazole 10 microg/mL in Cyclohexane
Bromuconazole 10 microg/mL in Acetonitrile
1H-1,2,4-Triazole, 1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-
2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol
UNII-PHS29ZMZ81
VECTRA
Bromuconazol isomer 1
Bromuconazol isomer 2
BROMUCONAZOLE-2
Triazole-based ligand, 16
SCHEMBL22340
CHEMBL271579
BDBM21165
REA25548
Tox21_302434
AKOS015903856
USEPA/OPP Pesticide Code: 120503
NCGC00163751-01
NCGC00255388-01
LS 860263
CAS-116255-48-2
NS00000700
C18704
Bromuconazol, PESTANAL(R), analytical standard
Q2152394
1-{[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl}-1H-1,2,4-triazole
1-((4-BROMO-2-(2,4-DICHLOROPHENYL)TETRAHYDRO-2- FURANYL)METHYL)-1H-1,2,4-TRIAZOLE
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)-
408-060-3