Phthalocyanine

HCID 86280045CAS 574-93-6

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Grundinformationen

Standard-SMILES: c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIKey: IEQIEDJGQAUEQZ-UHFFFAOYSA-N
Summenformel: C32H18N8
Durchschnittliche Molmasse: 514,5 g/mol
Monoisotopische Masse: 514,16544258

Überblick

Phthalocyanine is a tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. It is a tetrapyrrole fundamental parent and a member of phthalocyanines.

Namen und Bezeichner

Bevorzugter Name: Phthalocyanine
IUPAC: 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

Namen und Synonyme

PHTHALOCYANINE574-93-629H,31H-PhthalocyanineLionol Blue KWHeliogen Blue 7560Heliogen Blue GIrgazin Blue 3GTMonolite Fast Blue GSHeliogen Blue 7800Tetrabenzo(b,g,l,q)porphyrazineV5PUF4VLGYCI 74100

Weitere Namen anzeigen

DTXSID9025906CHEBI:349215,28:14,19-Diimino-7,12:26,21-dinitrilotetrabenzo(c,h,m,r)(1,6,11,16)tetraazacycloeicosineRefChem:863050DTXCID705906209-378-3Phthalocyaninftalocianina

Datenbank-Bezeichner

CAS: 574-93-6
PubChem CID: 86280045
DTXSID: DTXSID9025906
ChEMBL: CHEMBL262101
ChEBI: CHEBI:34921
UNII: V5PUF4VLGY
EC Number: 209-378-3
Nikkaji: J34.511C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,4
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 40
Formalladung: 0
Komplexität: 777

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Phthalocyanine Dyes

CosmeticsCosmetic colorant

Physical Description · 2 Einträge

CBI

Metal-free phthalocyanine: Blue-green color; [Hawley] Black, dark blue, or purple odorless crystalline solid; [MSDSonline]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 96.8% (121 of 125) of all reports.

Not Classified

Aggregated GHS information provided per 125 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 29H,31H-Phthalocyanine

29H,31H-Phthalocyanine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 29H,31H-Phthalocyanine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 23-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10479

Phthalocyanine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesNot Classified

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationDrugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

Verwendung und Herstellung

Uses · 2 Einträge

Used for decorative enamels, automotive finishes, and other applications needing chemical stability and light-fastness; [Hawley] Used to stain single nerve fibers of Soviet crabs; [HSDB]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesPigment

Industry UsesPigment

Use ClassificationCosmetics -> Cosmetic colorant

General Manufacturing Information · 3 Einträge

Paint and Coating Manufacturing

29H,31H-Phthalocyanine: ACTIVE

PHTHALOCYANINE IS USED TO STAIN SINGLE NERVE FIBERS FROM SOVIET CRABS.