2-bromo-1,3-difluoro-5-isothiocyanatobenzene
Names and Identifiers of 1000577-92-3
CAS Number |
1000577-92-3 |
|---|---|
MDL Number |
MFCD09878121 |
IUPAC Name |
2-bromo-1,3-difluoro-5-isothiocyanatobenzene |
InChI |
InChI=1S/C7H2BrF2NS/c8-7-5(9)1-4(11-3-12)2-6(7)10/h1-2H |
InChIKey |
UQVJUTRQHOWKSK-UHFFFAOYSA-N |
Canonical SMILES |
FC1=CC(N=C=S)=CC(F)=C1Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000577-92-3
Exact Mass |
248.90600 |
|---|---|
LogP |
3.46160 |
Molecular Formula |
C7H2BrF2NS |
Molecular Weight |
250.06300 |
PSA |
44.45000 |
Safety Information of 1000577-92-3
Applications of 1000577-92-3
2-Bromo-1,3-difluoro-5-isothiocyanatobenzene finds applications in various fields:
- Chemistry: It serves as a building block for synthesizing more complex organic molecules.
- Biology: Used in studies involving enzyme inhibition and protein interactions due to its reactive nature.
- Industry: Employed in producing specialty chemicals and materials with specific properties.
Interaction Studies of 1000577-92-3
Research on 2-Bromo-1,3-difluoro-5-isothiocyanatobenzene has highlighted its potential in biochemical interactions. The isothiocyanate functionality allows it to engage in covalent bonding with nucleophilic amino acids in proteins, which is crucial for understanding its role in enzyme inhibition and modification of biomolecular functions.
Similar Compounds: Comparison with Other CompoundsSimilar Compounds- 2-Bromo-1,3-difluoro-5-iodobenzene: Similar structure but contains iodine instead of the isothiocyanate group.
- 2-Bromo-1,3-difluorobenzene: Lacks the isothiocyanate group, making it less reactive than 2-Bromo-1,3-difluoro-5-isothiocyanatobenzene.
- 1-Bromo-2,6-difluorobenzene: An isomer with different substitution patterns that influences its chemical behavior.
The uniqueness of 2-Bromo-1,3-difluoro-5-isothiocyanatobenzene lies in its combination of both bromine and isothiocyanate groups. This combination not only enhances its reactivity but also expands its potential applications in research and industry compared to similar compounds that lack one or both functional groups.
Biological Activity of 1000577-92-3
2-Bromo-1,3-difluoro-5-isothiocyanatobenzene exhibits significant biological activity due to its reactive isothiocyanate group. This reactivity allows it to form covalent bonds with nucleophilic sites in proteins and other biomolecules, which can lead to enzyme inhibition or modification of protein functions. Such properties make it valuable for studies related to enzyme activity and protein labeling.
