Description
3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride (CAS No. 4284-09-7) is a highly fluorinated aromatic compound with the molecular formula C7ClF7. This specialty chemical is characterized by its unique structure, featuring a benzene ring substituted with chlorine, four fluorine atoms, and a trifluoromethyl group. Its IUPAC name is 1-chloro-2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzene. With exceptional thermal and chemical stability, this compound is ideal for advanced research applications in fluorochemistry, materials science, and pharmaceuticals. It is supplied as a high-purity liquid (or solid, depending on form) with detailed technical specifications including purity, boiling/melting points, and solubility data available upon request. Proper handling under inert conditions is recommended due to its reactive functional groups.
Properties
- CAS Number: 4284-09-7
- Complexity: 230
- IUPAC Name: 1-chloro-2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzene
- InChI: InChI=1S/C7ClF7/c8-2-3(9)1(7(13,14)15)4(10)6(12)5(2)11
- InChI Key: WFPMVEWSBGBVKV-UHFFFAOYSA-N
- Exact Mass: 251.9576748
- Molecular Formula: C7ClF7
- Molecular Weight: 252.51
- SMILES: C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(F)(F)F
- Monoisotopic Mass: 251.9576748
- Synonyms: 3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride, 4284-09-7, DTXSID30380807, DTXCID10331832, 679-953-5, 1-chloro-2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzene, 3-CHLOROHEPTAFLUOROTOLUENE, MFCD03094143, SCHEMBL7069317, SBB101152, AKOS007930239, AS-69885, C1727, D89454, 3-Chloro-alpha,alpha,alpha,2,4,5,6-heptafluorotoluene, 5-chloro-2,3,4,6-tetrafluoro-1-(trifluoromethyl)benzene
Application
3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride serves as a key intermediate in the synthesis of fluorinated liquid crystals and agrochemicals. Its electron-withdrawing properties make it valuable in pharmaceutical research for designing bioactive molecules. The compound is also used in materials science to develop hydrophobic coatings and high-performance polymers. Researchers utilize it as a building block for advanced fluorinated aromatic systems in specialty chemistry applications.
Safety and Hazards
GHS Hazard Statements
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statements
- P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
- Eye Irrit. 2 (100%)
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