CAS 189-64-0 Dibenzo[b,def]chrysene - Materials / Alfa Chemistry

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Dibenzo[b,def]chrysene

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Catalog Number

ACM189640

Product Name

Dibenzo[b,def]chrysene

Structure

CAS

189-64-0

Category

Carbon Nanomaterials

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

Molecular Formula

C24H14

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

EC Number

205-878-0

Exact Mass

302.10955g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 7.28 (est)

MeSH Entry Terms

3,4-8,9-dibenzopyrene;dibenzo(a,h)pyrene

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

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

MSDS

Download MSDS