80440-44-4

Basic information

• Product Name: 7H-DIBENZ(DE,J)ANTHRACEN-7-ONE
• Synonyms: 7H-DIBENZ(DE,J)ANTHRACEN-7-ONE
• CAS NO: 80440-44-4
• Molecular Formula: C21H12 O
• Molecular Weight: 280.3194
• Mol File: 80440-44-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 184-185 °C
• Boiling Point: 525°Cat760mmHg
• Flash Point: 235.8°C
• Appearance: /
• Density: 1.315g/cm³
• Vapor Pressure: 4.07E-11mmHg at 25°C
• Refractive Index: 1.782
• CAS DataBase Reference: 7H-DIBENZ(DE,J)ANTHRACEN-7-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 7H-DIBENZ(DE,J)ANTHRACEN-7-ONE(80440-44-4)
• EPA Substance Registry System: 7H-DIBENZ(DE,J)ANTHRACEN-7-ONE(80440-44-4)

Safety Data

• Hazardous Substances Data: 80440-44-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C21H12O/c22-21-18-10-4-7-14-6-3-9-16(19(14)18)17-12-11-13-5-1-2-8-15(13)20(17)21/h1-12H

Upstream product

• 2498-66-0 benz[a]anthracene-7,12-dione 
• 56-81-5 glycerol 
• 7664-93-9 sulfuric acid 
• 62-53-3 aniline 
• 7446-70-0 aluminium trichloride 
• 605-78-7 bis(naphthalen-1-yl)methanone 

Relevant articles and documents

Improved Synthesis and Crystal Structure of 7H-Dibenzanthracen-7-one

An improved synthetic method gives pure 7H-dibenzanthracen-7-one, C21H12O, in a higher yield than those reported so far.The crystal structure has been determined by X-ray analysis.The space group is Pn21a, with unit cell dimensions of a=23.325(5), b=14.149(3), c=3.986(1) A, and Z=4.The structure was solved by the direct method and refined by the block-diagonal least-squares method to an R value of 0.044.The molecule is greatly distorted from the planar conformation because of an intramolecular steric repulsion between the hydrogen atoms.