CAS 574-93-6 Phthalocyanine - Materials / Alfa Chemistry

NAVIGATION

Phthalocyanine

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Catalog Number

ACM574936-4

CAS Number

574-93-6

Product Name

Phthalocyanine

Structure

Category

Semiconducting Materials; Phthalonitriles & Naphthalonitriles; Ligands for Functional Metal Complexes; Molecular Conductors; Phthalocyanine Dyes, Porphyrin Dyes

Synonyms

Pigment Blue 16

Description

Alfa Chemistry offers Phthalocyanine products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.

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

>300°C (dec.)(lit.)

Purity

Purity: >93.0%(N)

Density

1.489 g/cm³

Solubility

Insoluble in water

Appearance

Dark red to Dark purple to Dark blue powder to crystaline

Application

Phthalocyanine is a group of benzoporphyrins which have strong pigmenting power, forming a family of dyes. The basic structure of the molecule comprises four isoindole groups (C6H4,)C2N, joined by four nitrogen atoms. Four commercially important modifications are: (a) metal free phthalocyanine (C6H4C2N)4, having a bluegreen color,(b copper phthalocyanine in which a copper atom is held by secondary valences of the isoindole nitrogen atoms, (c) chlorinated copper phthalocyanine, green, in which 15 to 16 hydrogen atoms are replaced by chlorine, and (d) sulphonated copper phthalocyanine, water-soluble and green, in which two hydrogens are replaced by sulphonic acid groups. It is used in decorative enamels and automotive finishes; chlorophyll and haems have basic phthalocyanine structures in their molecules.

Assay

0.99

Complexity

777

Covalently-Bonded Unit Count

EC Number

209-378-3

Exact Mass

514.165g/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.

Heavy Atom Count

MDL Number

MFCD00005085

Monoisotopic Mass

514.165g/mol

Packaging

1 ton

Refractive Index

1.931

Storage Conditions

Store at room temperature and dry

Topological Polar Surface Area