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1-Fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene

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Identification
Molecular formula
C12H6F2N2O6S
CAS number
118774-29-1
IUPAC name
1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene
State
State

The compound is typically a solid at room temperature. It forms distinctive yellow crystals under standard conditions of temperature and pressure.

Melting point (Celsius)
180.00
Melting point (Kelvin)
453.15
Boiling point (Celsius)
445.50
Boiling point (Kelvin)
718.65
General information
Molecular weight
348.24g/mol
Molar mass
348.2200g/mol
Density
1.7080g/cm3
Appearence

1-Fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene typically appears as a yellow crystalline solid. Its crystalline form and color can help in its identification and can vary slightly depending on purity and particle size.

Comment on solubility

Solubility of 1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene

The compound 1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene presents interesting characteristics regarding its solubility due to its complex molecular structure and the presence of multiple functional groups. Here are some factors that influence its solubility:

  • Polarity: With both nitro and sulfonyl groups, this compound exhibits a degree of polarity, which can enhance its solubility in polar solvents.
  • Hydrogen Bonding: The presence of nitro groups can lead to potential hydrogen bonding with solvent molecules, possibly increasing solubility in polar aprotic solvents.
  • Hydrophobicity: The fluorinated aromatic rings may impart some hydrophobic characteristics, potentially decreasing solubility in water.

It is essential to consider the solvents used when evaluating solubility. For instance:

  • In water: Solubility may be limited due to the hydrophobic nature of the aromatic rings.
  • In organic solvents: Compounds like dimethyl sulfoxide (DMSO) or acetone might provide better solubility due to their polar nature and ability to solvate the structure.

In conclusion, the solubility of 1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene is highly dependent on the solvent systems and the interplay between its polar and non-polar characteristics. As with many complex molecules, empirical testing remains crucial to accurately determine solubility profiles.

Interesting facts

Interesting Facts about 1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene

This fascinating compound exhibits a unique combination of functional groups that provide it with intriguing properties and potential applications in various fields of chemistry. Here are some noteworthy aspects:

  • Versatile Applications: The presence of both fluoro and nitro groups in its structure often makes this compound useful in the synthesis of various pharmaceuticals and agrochemicals. These functional groups can enhance biological activity and stability, leading to increased efficacy.
  • Bioactivity: The nitro group, in particular, is known for its role in biological activity. Compounds containing nitro groups have been studied for their antibacterial and antitumor properties, making them significant in medicinal chemistry.
  • Fluorination Effects: The fluorination of organic compounds often results in favorable changes in pharmacokinetic properties, such as improved metabolic stability and lipophilicity. This feature is highly sought after in designing new drugs.
  • Reactivity: The sulfonyl moiety in this compound can serve as an excellent leaving group in nucleophilic substitution reactions, providing a pathway to create even more complex molecules.
  • Environmental Considerations: Due to the presence of multiple electronegative atoms, this compound must be handled with care in laboratory settings, as compounds with halogens and nitro groups can exhibit specific toxicity and environmental hazards.

In the realm of organic synthesis, understanding the reactivity and potential of such compounds can open doors to new, innovative solutions. As chemists, we constantly seek to unlock the intricacies of compounds like 1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene to enhance our toolkit for creating the next generation of chemical products.

Synonyms
312-30-1
Bis(4-fluoro-3-nitrophenyl) sulfone
4-Fluoro-3-nitrophenyl sulfone
Bis(4-fluoro-3-nitrophenyl)sulfone
4,4'-Sulfonylbis(1-fluoro-2-nitrobenzene)
Difluorodinitrobenzene sulfone
SULFONE, BIS(4-FLUORO-3-NITROPHENYL)
4,4'-DIFLUORO-3,3'-DINITRODIPHENYLSULFONE
Bis(4-fluoro-3-nitrophenyl)sulphone
NSC 14153
Bis(4-fluoro-3-nitrophenyl) sulphone
p,p'-Difluoro-m,m'-dinitrodiphenyl sulfone
EINECS 206-224-7
3,3'-Dinitro-4,4'-difluorodiphenyl sulfone
Benzene, 1,1'-sulfonylbis(4-fluoro-3-nitro-
Benzene, 1,1'-sulfonylbis[4-fluoro-3-nitro-
1-fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene
BRN 2486439
DFDNPS
DBR958H7K9
4,4'-Difluoro-3,3-dinitrodiphenyl sulfone
NSC-14153
NDS
CHEMBL297905
4,4'-Difluoro-3,3'-dinitrodiphenyl sulfone
4,4'-Difluoro-3,3'-dinitrodiphenylsulphone
DTXSID7059800
1-fluoro-4-(4-fluoro-3-nitrobenzenesulfonyl)-2-nitrobenzene
NSC14153
DIFLUORODINITROBENZENE SULPHONE
1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene
SULPHONE, BIS(4-FLUORO-3-NITROPHENYL)
1,1'-SULFONYLBIS(4-FLUORO-3-NITRO-BENZENE)
1,1'-SULPHONYLBIS(4-FLUORO-3-NITRO-BENZENE)
BENZENE, 1,1'-SULPHONYLBIS(4-FLUORO-3-NITRO-
Bis[4-fluoro-3-nitrophenyl] sulfone
Sulfone, bis[4-fluoro-3-nitrophenyl]
MFCD00007057
p,m'-dinitrodiphenyl sulfone
UNII-DBR958H7K9
SCHEMBL133996
3,4'-difluorodiphenyl sulfone
DTXCID2038310
KHAWDEWNXJIVCJ-UHFFFAOYSA-
Bis(p-fluoro-m-nitrophenyl) sulfone
BDBM50101942
AKOS015854385
AS-64999
Benzene,1'-sulfonylbis[4-fluoro-3-nitro-
3,3'-Dinitro-4,4'-difluorodiphenylsulfone
DB-047990
CS-0132648
D0536
NS00041824
4.4/'-Difluoro-3.3/'-dinitrodiphenylsulfone
D89675
Bis(4-fluoro-3-nitrophenyl) sulfone, >=97.0% (HPLC)
1-Fluoro-4-[(4-fluoro-3-nitrophenyl)sulfonyl]-2-nitrobenzene
1-Fluoro-4-[(4-fluoro-3-nitrophenyl)sulfonyl]-2-nitrobenzene #
206-224-7
InChI=1/C12H6F2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H