CAS 1027513-82-1
:1,3-Dichloro-2-fluoro-5-isothiocyanatobenzene
Description:
1,3-Dichloro-2-fluoro-5-isothiocyanatobenzene is an organic compound characterized by the presence of multiple halogen substituents and an isothiocyanate functional group. Its molecular structure features a benzene ring with two chlorine atoms and one fluorine atom located at the 1, 3, and 2 positions, respectively, along with an isothiocyanate group (-N=C=S) at the 5 position. This compound is typically a solid at room temperature and may exhibit a range of physical properties such as solubility in organic solvents and moderate volatility. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic substitution reactions, and it may also exhibit biological activity, making it of interest in various fields, including agrochemicals and pharmaceuticals. Safety data indicates that it may be harmful if inhaled or ingested, and appropriate handling precautions should be taken. Overall, its unique combination of functional groups contributes to its chemical reactivity and potential applications.
Formula:C7H2Cl2FNS
InChI:InChI=1S/C7H2Cl2FNS/c8-5-1-4(11-3-12)2-6(9)7(5)10/h1-2H
InChI key:InChIKey=IBUYCHXOCIFZBX-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC(Cl)=C(F)C(Cl)=C1
Synonyms:- 1,3-Dichloro-2-fluoro-5-isothiocyanatobenzene
- 3,5-Dichloro-4-fluorophenyl isothiocyanate
- Benzene, 1,3-dichloro-2-fluoro-5-isothiocyanato-
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