76185-12-1

Basic information

• Product Name: 2,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE
• Synonyms: 2,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE
• CAS NO: 76185-12-1
• Molecular Formula: C₈H₁₀F₂O₂
• Molecular Weight: 176.16
• Mol File: 76185-12-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 192.081 °C at 760 mmHg
• Flash Point: 70.873 °C
• Appearance: /
• Density: 1.191 g/cm³
• Vapor Pressure: 0.498mmHg at 25°C
• Refractive Index: 1.421
• CAS DataBase Reference: 2,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE(76185-12-1)
• EPA Substance Registry System: 2,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE(76185-12-1)

Safety Data

• Hazardous Substances Data: 76185-12-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 46, p. 3917, 1981 DOI: 10.1021/jo00332a034

InChI:InChI=1/C8H10F2O2/c1-7(2)3-5(11)8(9,10)6(12)4-7/h3-4H2,1-2H3

Upstream product

• 126-81-8 dimedone 
• 1807-68-7 diazodimedone 

Relevant articles and documents

Elemental fluorine. Part 6. Fluorination of cyclic 1,3-diketones and related compounds

Direct fluorination of cyclic 1,3-diones gives 2-mono- and 2,2-di-fluorinated products. The monofluorinated compounds crystallise in their enol forms and the difluorinated compounds form stable monohydrates whose crystal structures have been elucidated. D

CHEMISTRY OF ORGANO HALOGENIC MOLECULES. PART 100. COMPARATIVE BEHAVIOUR OF XENON DIFLUORIDE AND CAESIUM FLUOROXYSULPHATE IN THE FLUORINATION OF ENOL ACETATES AND KETONES

Xenon difluoride and caesium fluoroxysulphate reacted in methylene chloride or acetonitrile with various enol acetates, diketones, and ketones, yielding mainly α-fluoro ketones, the course of the reaction depending on the reagent and the structure of the organic molecule.Enol acetates from cycloalkanones were converted with caesium fluoroxysulphate to α-fluoroxycycloalkanones in high yield.Xenon difluoride and caesium fluoroxysulphate converted enol acetates of benzocycloalkanones-1 to α-fluorobenzocycloalkanones, while the reactivity of enol acetates of benzocycloalkanones-2 depended on the reagent used. 1,3-Diphenyl-propane-1,3-dione and its enol acetate were converted with XeF2 and CsSO4F to mono and difluoro substituted products, the course of the reaction being dependent on the reagent.Xenon difluoride converted 1-indanone to rearranged 2,2-difluorochromane, while caesium fluoroxysulphate reacted to 1-fluoro-2-indanone with 2-indanone.

Geminal Fluorination of Diazo Compounds

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