6861-63-8

Basic information

• Product Name: 5-fluoro-1,2-dihydroacenaphthylene
• Synonyms: 5-Fluoro-1,2-dihydroacenaphthylene; Acenaphthylene, 5-fluoro-1,2-dihydro-
• CAS NO: 6861-63-8
• Molecular Formula: C₁₂H₉F
• Molecular Weight: 172.1983
• Mol File: 6861-63-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 290.3°C at 760 mmHg
• Flash Point: 99°C
• Density: 1.237g/cm³
• Vapor Pressure: 0.00364mmHg at 25°C
• Refractive Index: 1.664
• CAS DataBase Reference: 5-fluoro-1,2-dihydroacenaphthylene(CAS DataBase Reference)
• NIST Chemistry Reference: 5-fluoro-1,2-dihydroacenaphthylene(6861-63-8)
• EPA Substance Registry System: 5-fluoro-1,2-dihydroacenaphthylene(6861-63-8)

Safety Data

• Hazardous Substances Data: 6861-63-8(Hazardous Substances Data)

Upstream product

• 83-32-9 acenaphthene 
• 2051-98-1 5-bromoacenaphthene 

Downstream Products

• 1534-80-1 5-chloro-6-fluoro-acenaphthene 
• 17521-01-6 5-Fluoracenaphthylen 

Relevant articles and documents

Nuclear spin-spin coupling via nonbonded interactions. 8. The distance dependence of through-space fluorine-Fluorine coupling

The 19F19F nuclear spin-spin coupling constants J(FF) for a set of eighteen compounds related structurally to 1,8-difluoronaphthalene were measured by 19F NMR spectroscopy. The FF distances d(FF) in these compounds were determined by ab initio 3-21G* molecular orbital calculations. Consistent with the lone-pair overlap theory of the origins of through-space 19F19F coupling, an exponential relationship is found between J(FF) and d(FF) (regression coefficient r2 = 0.991), and a linear relationship is found between J(FF) and the extent of the overlap interaction between the in- plane fluorine 2p lone-pair orbitals (regression coefficient r2 = 0.993). The magnitudes of these lone-pair interactions were estimated from molecular orbital energies obtained by ab initio 6-31G* calculations for a model consisting of a pair of HF molecules separated by various distances.

Fluorination with Xenon Difluoride. 23. Fluorination of Ortho Substituted Aromatic Molecules

The fluorination of 9,10-dihydroxyanthracene and triptycene with xenon difluoride in the presence of hydrogen fluoride occured at α and β position with β attack predominating over α attack, while the reaction with acenaphthalene resulted in the formation of 2- and 4-fluorosubstituted products, regioselectivity being very little affected by the nature of the catalyst: hydrogen fluoride, boron trifluoride and pentafluorothiophenol.The fluorination of 1,2,3,4-tetrahydro-1,4-methanonaphthalene resulted in the formation of 6-fluoro-1,2,3,4-tetra-hydro-1,4-methanonaphthalene, 6,7-difluoro-1,2,3,4-tetrahydro-1,4-methanonaphthalene and rearranged product 1-(2,2-difluoroethyl)indan.