CAS 574-93-6 Phthalocyanine (purified by sublimation)

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Phthalocyanine (purified by sublimation)

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Catalog Number

ACM574936-2

CAS Number

574-93-6

Product Name

Phthalocyanine (purified by sublimation)

Structure

Category

Ligands for Functional Metal Complexes; Other Material Building Blocks; Molecular Conductors; Organic Field Effect Transistor (OFET) Materials; Phthalocyanine Dyes, Porphyrin Dyes

Synonyms

Pigment Blue 16 (purified by sublimation)

Description

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IUPAC Name

2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Molecular Weight

514.55

Molecular Formula

C32H18N8

Canonical SMILES

C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94

InChI

InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)

InChI Key

IEQIEDJGQAUEQZ-UHFFFAOYSA-N

Melting Point

357 °C

Purity

>99.0%(N)

Solubility

Insoluble in water

Appearance

Dark red to Dark purple to Dark blue powder to crystaline

Application

The phthalocyanato metal complexes are artificial dyes for painting of railway trains, and for organic photoconductors of electrophotography. There are applications of organic semiconductors as organic transistors and hole injection materials for organic light-emitting diodes (OLED).

Storage

Store under inert gas

Complexity

777

Covalently-Bonded Unit Count

EC Number

209-378-3

Exact Mass

514.165443g/mol

Features And Benefits

The phthalocyanato metal complexes show a more intense Q band absorption than that of the Soret band. Their absorption wavelengths are shifted to longer wavelengths than those of porphyrin compounds. Absorption wavelength is further shifted to the near infrared area by modification of the central metal and expansion of the π-conjugates. Introduction of an alkyl group provides soluble phthalocyanine and porphyrin compounds, although they are poorly soluble due to the large π-conjugated cycle.

Formal Charge

Hazard Statements

H351 : Suspected of causing cancer.

Heavy Atom Count

MDL Number

MFCD00005085

MeSH Entry Terms

dehydrophthalocyanine;dinuclear phthalocyanine H2Pc-H2Pc;phthalocyanine;Pigment Blue 16;trinuclear phthalocyanine H2Pc-H2Pc-H2Pc

Monoisotopic Mass

514.165443g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P405 : Store locked up.

Refractive Index

1.48

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

0.87

Storage Conditions

Store at room temperature and dry

UNII

V5PUF4VLGY

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