CAS 97985-54-1

1,2,3,4-Tetrachloro-5-(trifluoromethyl)benzene

Description:

1,2,3,4-Tetrachloro-5-(trifluoromethyl)benzene, with the CAS number 97985-54-1, is an aromatic compound characterized by the presence of four chlorine atoms and one trifluoromethyl group attached to a benzene ring. This compound exhibits a high degree of chlorination, which significantly influences its chemical properties, including increased stability and resistance to degradation. It is typically a colorless to pale yellow solid at room temperature and has a relatively high melting point due to the strong intermolecular forces associated with the halogen substituents. The presence of the trifluoromethyl group enhances its lipophilicity and may impart unique reactivity patterns, making it of interest in various chemical applications, including as an intermediate in organic synthesis and in the development of agrochemicals or pharmaceuticals. Additionally, the compound's environmental persistence and potential toxicity are important considerations in its handling and usage, necessitating careful assessment in accordance with safety regulations.

Formula: C₇HCl₄F₃

InChI: InChI=1S/C7HCl4F3/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H

InChI key: InChIKey=PVRJKVZQZVDIQH-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1

Synonyms:

• 2,3,4,5-Tetrachlorobenzotrifluoride
• Benzene, 1,2,3,4-tetrachloro-5-(trifluoromethyl)-
• 2,3,4,5-Tetrachloro-1-(trifluoromethyl)benzene
• 1,2,3,4-Tetrachloro-5-(trifluoromethyl)benzene