5-bromo-1,3-difluoro-2-isothiocyanatobenzene
CAS No.:
1000574-64-0
M. Wt:
250.063
M. Fa:
C7H2BrF2NS
InChI Key:
DKMIUJJMEGJAHP-UHFFFAOYSA-N
Appearance:
Solid
Names and Identifiers of 1000574-64-0
CAS Number |
1000574-64-0 |
|---|---|
MDL Number |
MFCD00123917 |
IUPAC Name |
5-bromo-1,3-difluoro-2-isothiocyanatobenzene |
InChI |
InChI=1S/C7H2BrF2NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H |
InChIKey |
DKMIUJJMEGJAHP-UHFFFAOYSA-N |
Canonical SMILES |
FC1=CC(Br)=CC(F)=C1N=C=S |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000574-64-0
Boiling Point |
270.2±40.0 °C at 760 mmHg |
|---|---|
Density |
1.7±0.1 g/cm3 |
Exact Mass |
248.905930 |
Flash Point |
117.2±27.3 °C |
Index of Refraction |
1.588 |
LogP |
4.04 |
Molecular Formula |
C7H2BrF2NS |
Molecular Weight |
250.063 |
Vapour Pressure |
0.0±0.5 mmHg at 25°C |
Safety Information of 1000574-64-0
Applications of 1000574-64-0
4-Bromo-2,6-difluorophenyl isothiocyanate finds applications in various fields:
- Chemical Research: It serves as a reagent in organic synthesis for creating more complex molecules.
- Pharmaceutical Development: Its potential bioactivity makes it a candidate for further investigations in drug development, particularly in anticancer research.
- Agricultural Chemistry: It may also be explored for use in developing agrochemicals due to its biological activity against pests .
Biological Activity of 1000574-64-0
Research indicates that 4-bromo-2,6-difluorophenyl isothiocyanate exhibits biological activities such as:
- Antimicrobial Properties: Some studies suggest that isothiocyanates can possess antimicrobial effects, potentially inhibiting the growth of certain bacteria and fungi.
- Anticancer Activity: Preliminary studies indicate that compounds containing isothiocyanate groups may have cytotoxic effects against various cancer cell lines, suggesting potential applications in cancer therapy .