CAS 1027513-62-7

2,4-Difluoro-1-(isothiocyanatomethyl)benzene

Description:

2,4-Difluoro-1-(isothiocyanatomethyl)benzene is an organic compound characterized by the presence of two fluorine atoms and an isothiocyanate functional group attached to a benzene ring. The fluorine substituents are located at the 2 and 4 positions of the aromatic ring, which can influence the compound's reactivity and physical properties, such as polarity and solubility. The isothiocyanate group, characterized by the functional group -N=C=S, is known for its versatility in chemical reactions, particularly in nucleophilic addition and substitution reactions. This compound may exhibit biological activity, making it of interest in medicinal chemistry and agrochemicals. Its unique structure can lead to specific interactions with biological targets, potentially influencing its efficacy and toxicity. Additionally, the presence of fluorine atoms often enhances the stability and lipophilicity of organic molecules, which can affect their pharmacokinetic properties. Overall, 2,4-Difluoro-1-(isothiocyanatomethyl)benzene is a compound of interest in various fields, including synthetic chemistry and drug development.

Formula: C₈H₅F₂NS

InChI: InChI=1S/C8H5F2NS/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2

InChI key: InChIKey=XQZMDAOAFSOBHF-UHFFFAOYSA-N

SMILES: C(N=C=S)C1=C(F)C=C(F)C=C1

Synonyms:

• Benzene, 2,4-difluoro-1-(isothiocyanatomethyl)-
• 2,4-Difluoro-1-(isothiocyanatomethyl)benzene

2,4-Difluorobenzylisothiocyanate

CAS: 1027513-62-7

Formula: C₈H₅F₂NS

Molecular weight: 185.19

Ref: 10-F034874