Description

Allylpentafluorobenzene (CAS No. 1736-60-3) is a high-purity fluorinated aromatic compound with the molecular formula C₉H₅F₅. This specialty chemical, also known by its IUPAC name 1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene, is characterized by its unique combination of an allyl group and a pentafluorophenyl moiety, making it a valuable intermediate in advanced organic synthesis and materials science. Our product is rigorously tested to ensure ≥98% purity (GC), with stringent quality control for consistency in research and industrial applications. Suitable for use in nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for liquid crystals or fluorinated polymers. Packaged under inert gas to ensure stability and supplied in amber glass bottles to prevent photodegradation.

Key Specifications:
– CAS: 1736-60-3
– Molecular Weight: 208.13 g/mol
– Boiling Point: ~185-188°C
– Density: 1.32 g/cm³ (20°C)
– Storage: 2-8°C under inert atmosphere

Properties

• CAS Number: 1736-60-3
• Complexity: 191
• IUPAC Name: 1-allyl-2,3,4,5,6-pentafluoro-benzene
• InChI: InChI=1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2
• InChI Key: YBDBTBVNQQBHGJ-UHFFFAOYSA-N
• Exact Mass: 208.03114097
• Molecular Formula: C9H5F5
• Molecular Weight: 208.13
• SMILES: C=CCC1=C(C(=C(C(=C1F)F)F)F)F
• Monoisotopic Mass: 208.03114097
• Synonyms: Allylpentafluorobenzene, 1736-60-3, EINECS 217-083-6, DTXSID50169636, NSC 88279, DTXCID9092127, 217-083-6, Benzene, allylpentafluoro-, 3-(pentafluorophenyl)-1-propene, 1-Allyl-2,3,4,5,6-pentafluorobenzene, Benzene, 1,2,3,4,5-pentafluoro-6-(2-propen-1-yl)-, 1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene, BENZENE, PENTAFLUORO-2-PROPENYL-, MFCD00000301, 2,3,4,5,6-Pentafluoro(allylbenzene), NSC88279, 1,2,3,4,5-pentafluoro-6-(prop-2-en-1-yl)benzene, Pentafluoroallylbenzene, Allylpentafluorobenzene, 97%, SCHEMBL151989, Allylpentafluorobenzene, >/=98%, AC8594, NSC-88279, SBB093988, AKOS007930770, FA75665, PS-10091, SY048786, 1-Allyl-2,3,4,5,6-pentafluorobenzene #, DB-043951, A1611, NS00046787, 1,2,3,5,6-pentafluoro-4-prop-2-enylbenzene

Application

Allylpentafluorobenzene serves as a versatile precursor in pharmaceutical research for introducing fluorinated aromatic groups via Suzuki-Miyaura coupling. In materials science, it’s employed to synthesize liquid crystals with enhanced thermal stability for display technologies. The compound’s electron-withdrawing pentafluorophenyl group makes it valuable for developing organic semiconductors and dielectric materials.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.