CAS 213-46-7 Picene (purified by sublimation) (>99.9%)

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Picene (purified by sublimation) (>99.9%)

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Catalog Number

ACM213467-1

CAS Number

213-46-7

Product Name

Picene (purified by sublimation) (>99.9%)

Structure

Category

Other Material Building Blocks; Carbon Nanomaterials; Electronic Materials; Molecular Conductors; Organic Field Effect Transistor (OFET) Materials

IUPAC Name

picene

Molecular Weight

278.3g/mol

Molecular Formula

C22H14

Canonical SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54

InChI

InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H

InChI Key

GBROPGWFBFCKAG-UHFFFAOYSA-N

Boiling Point

519.0 °C

Melting Point

368.0 °C

Solubility

1.55e-08 M

Application

Picene (purified by sublimation) (>99.9%) serves as a highly pure form of a notable polycyclic aromatic hydrocarbon, consisting of five fused benzene rings. This compound is typically derived from the distillation of petroleum or can be synthetically produced through specific chemical reactions involving anhydrous aluminium chloride. Despite its predicted carcinogenicity based on quantum mechanical calculations, animal studies have not confirmed such effects. Picene crystallizes into large, colorless plates with blue fluorescence and is notable for its chemical versatility, as it dissolves in concentrated sulfuric acid with a green hue and undergoes oxidation to form various derivatives. Its unique properties and high purity level make it a significant substance for both environmental studies and scientific research.

Complexity

361

Covalently-Bonded Unit Count

EC Number

205-918-7

Exact Mass

278.10955g/mol

Formal Charge

Heavy Atom Count

Log P

7.11 (LogP)

MeSH Entry Terms