Description

4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro- (CAS No. 10487-11-3) is a highly fluorinated ketone derivative with the molecular formula C₉H₆F₁₂O₃. This specialty chemical is characterized by its unique structure featuring multiple trifluoromethyl and hydroxyl groups, making it a valuable intermediate for advanced synthetic applications. Its IUPAC name is 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one. The compound is supplied as a high-purity material, ideal for research and development in fluoroorganic chemistry, pharmaceuticals, and materials science. Its robust fluorinated backbone offers exceptional stability and reactivity, enabling its use in demanding chemical environments.

Properties

• CAS Number: 10487-11-3
• Complexity: 398
• IUPAC Name: 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one
• InChI: InChI=1S/C9H6F12O3/c10-6(11,12)4(23,7(13,14)15)1-3(22)2-5(24,8(16,17)18)9(19,20)21/h23-24H,1-2H2
• InChI Key: UTINOFCCXUSLQP-UHFFFAOYSA-N
• Exact Mass: 390.0125320
• Molecular Formula: C9H6F12O3
• Molecular Weight: 390.12
• SMILES: C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O
• Topological: 57.5
• Monoisotopic Mass: 390.0125320
• Synonyms: 4-HEPTANONE, 2,6-BIS(TRIFLUOROMETHYL)-2,6-DIHYDROXY-1,1,1,7,7,7-HEXAFLUORO-, 1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone, NSC 160198, BRN 3108887, 2,6-Bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-4-heptanone, DTXSID60146796, 2,6-Dihydroxy-3H,3H,5H,5H-perfluoro-2,6-dimethylheptan-4-one, DTXCID7069287, 640-842-1, 10487-11-3, 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one, 1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethylheptan-4-one), 4-Heptanone,1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-, UTINOFCCXUSLQP-UHFFFAOYSA-N, MFCD01723705, NSC160198, SCHEMBL2947382, 1,1,1,7,7,7-Hexafluoro-2,6-bis(trifluoromethyl)-4-oxoheptan-2,6-diol, AKOS017345026, NSC-160198, DB-040568, CS-0447567, A801083, 4-Heptanone,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-, 1,1,1,7,7,7-hexakis(fluoranyl)-2,6-bis(oxidanyl)-2,6-bis(trifluoromethyl)heptan-4-one, 2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptan-4-one, 4-Heptanone, 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-

Application

This compound serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals due to its reactive hydroxyl and ketone functionalities. It is also employed in materials science for developing high-performance fluoropolymers with enhanced thermal and chemical resistance. Researchers utilize it in catalysis and ligand design for its ability to modulate electronic properties in metal-organic frameworks (MOFs).

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]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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