Dibenzo[b,def]chrysene

• CAS: 189-64-0
• Catalog Number: ACM189640
• Category: Other Products
• Molecular Weight: 302.4g/mol
• Molecular Formula: C24H14
• 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
• 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
• Complexity: 436
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 205-878-0
• Exact Mass: 302.10955g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 24
• LogP: log Kow = 7.28 (est)
• Monoisotopic Mass: 302.10955g/mol
• Odor: Odorless
• 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)
• Rotatable Bond Count: 0
• Stability: Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for Dibenzo
• UNII: XR5R3V8BJK
• UN Number: 2811
• Vapor Pressure: 6.4X10-12 mm Hg at 25 °C (est)
• XLogP3: 7