CAS 191-24-2 Benzo[ghi]perylene - Materials / Alfa Chemistry

NAVIGATION

Benzo[ghi]perylene

PRICE INQUIRY

Catalog Number

ACM191242-2

CAS Number

191-24-2

Product Name

Benzo[ghi]perylene

Structure

Category

Carbon Nanomaterials; Organic Light-Emitting Diode (OLED) Materials

Synonyms

1,12-Benzoperylene

Description

Benzo[ghi]perylene is a colorless to white crystalline solid. Water insoluble.;PALE YELLOW-GREEN CRYSTALS.

IUPAC Name

hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene

Molecular Weight

276.33

Molecular Formula

C22H12;C22H12

Canonical SMILES

c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56

InChI

1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H,GYFAGKUZYNFMBN-UHFFFAOYSA-N

InChI Key

GYFAGKUZYNFMBN-UHFFFAOYSA-N

Boiling Point

550 °C at 760 mm Hg;550 °C

Melting Point

277-279 °C (lit.)

Density

1.3 g/cu cm;1.3 g/mL

Solubility

9.41e-10 M;In water, 2.6X10-4 mg/L at 25 °C;Soluble in 1,4-dioxane, dichloromethane, benzene, and acetone;Solubility in water: none

Application

An n-channel organic semiconductor.

Storage

room temp

Assay

0.98

Color/Form

Yellow-green fluorescent leaflets from benzene;Large, pale yellow-green plates (recrystallized from xylene)

Complexity

411

Covalently-Bonded Unit Count

EC Number

205-883-8

Exact Mass

276.0939g/mol

Formal Charge

Heat of Vaporization

96.1 kJ/mol (323-473 K)

Heavy Atom Count

ICSC Number

0739

Log P

6.63 (LogP);log Kow = 6.63;6.58

MDL Number

MFCD00004135

MeSH Entry Terms

1,12-benzoperylene;1,12-benzperylene;benzo(ghi)perylene

Monoisotopic Mass

276.0939g/mol

NSC Number

89275

Other Experimental

Reaction with bromomaleic anhydride forms a dibromobenzo(ghi)perylene byproduct as well as coronene-dicarboxylic anhydride derivatives; reacts with nitrogen oxide & nitrogen dioxide to form nitro derivatives.;Enthalpy of fusion: 17.37 kJ/mol at 554.2 K;Henry's Law constant = 2.66X10-7 atm cu-m/mol at 20 °C;Hydroxyl radical reaction rate constant = 8.7X10-11 cu cm/molec-sec at 25 °C (est)

Packaging

25, 100 mg in glass insert

Rotatable Bond Count

RTECS Number

DI6200500

Stability

Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for Benzo;Stable to photo oxidation.

UNII

5ZME2E2Q9L

UN Number

3077;3082

Vapor Pressure