16683-64-0

Basic information

• Product Name: BENZ(K)ACEANTHRYLENE
• Synonyms: BENZ(K)ACEANTHRYLENE
• CAS NO: 16683-64-0
• Molecular Formula: C20H12
• Molecular Weight: 252.31
• Mol File: 16683-64-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 498.5°Cat760mmHg
• Flash Point: 247.1°C
• Appearance: /
• Density: 1.284g/cm³
• Vapor Pressure: 1.39E-09mmHg at 25°C
• Refractive Index: 1.839
• CAS DataBase Reference: BENZ(K)ACEANTHRYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: BENZ(K)ACEANTHRYLENE(16683-64-0)
• EPA Substance Registry System: BENZ(K)ACEANTHRYLENE(16683-64-0)

Safety Data

• Hazardous Substances Data: 16683-64-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C20H12/c1-2-5-15-12-19-17(10-14(15)4-1)11-16-7-3-6-13-8-9-18(19)20(13)16/h1-12H

Upstream product

• 108674-99-3 diethyl 2a,3-dihydroacenaphthene-3,4-dicarboxylate 
• 108665-29-8 diethyl acenaphthene-3,4-dicarboxylate 
• 108665-24-3 1,2-dihydrobenzaceanthrylene-7,12-quinone 
• 13055-36-2 acenaphthene-3,4-dicarboxylic acid 
• 108665-25-4 acenaphthene-3,4-dicarboxylic anhydride 
• 108665-31-2 1,2,7,12-tetrahydrobenzaceanthrylene 

Relevant articles and documents

Synthesis of New Cyclopenta-Fused PAH Isomers of Cata-Annelated Benzenoid Systems

The syntheses of three new benz-annelated derivatives of aceanthrylene and acephenanthrylene are reported.These systems are of interest in studies on mechanisms of bioactivation and structure-activity correlations because of their predicted high level of biological activity.Of the three isomers, benzaceanthrylene (5) has been synthesized by two routes involving Friedel-Crafts acylations of 1,2,3,4-tetrahydronaphthacene with chloroacetyl chloride or oxalyl chloride as the key step.The cyclic ketone product from each route has been successfully elaborated to 5.Synthesis of benzaceanthrylene (9) involves preparation of acenaphthene-3,4-dicarboxylic anhydride and its smooth conversion to 9.A straightforward and high-yield synthesis of benzacephenanthrylene (27) is described utilizing a Robinson annelation reaction of methyl vinyl ketone with a previously reported ketonic precursor of acephenanthrylene.