Product Name
Dibenzo[b,def]chrysene
Category
Heterocyclic Organic Compound
Description
Dibenzo(a,h)pyrene appears as yellow odorless crystals or flakes. Water insoluble.
IUPAC Name
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
Molecular Weight
302.4g/mol
Canonical SMILES
C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3
InChI
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H
InChI Key
RXUSYFJGDZFVND-UHFFFAOYSA-N
Melting Point
317.0 °C;318 °C
Solubility
In water, 3.5X10-5 mg/L at 25 °C (est);Soluble in sulfuric acid;Soluble in 1,4-dioxane
Color/Form
Golden-yellow plates, recrystallized from xylene or trichlorobenzene;Orange plates
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.
Monoisotopic Mass
302.10955g/mol
Other Experimental
In sulfuric acid solution has red color, changing later into violet or blue;Henry's Law constant = 1.4X10-8 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate contant = 5.0X10-11 cu cm/molecule-sec at 25 °C(est)
Stability
Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for Dibenzo
Vapor Pressure
6.4X10-12 mm Hg at 25 °C (est)
Download
