22970-73-6

Basic information

• Product Name: Methanone, (10-chloro-9-anthracenyl)phenyl-
• CAS NO: 22970-73-6
• Molecular Formula: C21H13ClO
• Molecular Weight: 316.787
• Mol File: 22970-73-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Methanone, (10-chloro-9-anthracenyl)phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Methanone, (10-chloro-9-anthracenyl)phenyl-(22970-73-6)
• EPA Substance Registry System: Methanone, (10-chloro-9-anthracenyl)phenyl-(22970-73-6)

Safety Data

• Hazardous Substances Data: 22970-73-6(Hazardous Substances Data)

Upstream product

• 93-97-0 benzoic acid anhydride 
• 98-88-4 benzoyl chloride 
• 412028-07-0 (9,10-dichloro-9,10-dihydro-[9]anthryl)-phenyl ketone 
• 1564-53-0 9-benzoylanthracene 

Relevant articles and documents

Sulphuryl Chloride as an Electrophile. Part 5. Chlorination of Some Anthracene Derivatives; Molecular Orbital Modelling of Substituent Effects

The rates of electrophilic attack at C-10 of some 9-substituted anthracenes (9-H, Br, CHO, CN, NO2, OMe, or Bz) by sulphuryl chloride have been measured (in PhCl 298 K).The substituent effects roughly parallel those expected from considering the simpler p-XC6H4 system (ρ -1.51; r 0.975); better agreement (ρ -1.23 +/- 0.05; r 0.994) comes by using Dewar's FMMF treatment.MNDO calculations of the energy and optimised geometry of the intermediate ?-complex show a folded structure which allows a degree of sp3 character of the C-10 atom while maintaining sufficient delocalisation of the extended ?-system in the anthracenium ion.The Bell-Eyring-Polyani principle is followed with a linear correlation between the difference in the calculated energy between each reactant and its ?-complex and the experimentally observed change in free energy during attack by Clδ+.