CAS 18253-54-8 Tin(IV) phthalocyanine dichloride

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Tin(IV) phthalocyanine dichloride

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Catalog Number

ACM18253548-3

CAS Number

18253-54-8

Product Name

Tin(IV) phthalocyanine dichloride

Structure

Category

Phthalonitriles & Naphthalonitriles; Molecular Conductors; Organic Light-Emitting Diode (OLED) Materials; Phthalocyanine Dyes, Porphyrin Dyes

Synonyms

Phthalocyanine Tin(IV) Dichloride

Description

Alfa Chemistry offers Tin(IV) Phthalocyanine Dichloride 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

38,38-dichloro-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

Molecular Weight

702.15

Molecular Formula

C32H16Cl2N8Sn

Canonical SMILES

C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Sn](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)(Cl)Cl

InChI

InChI=1S/C32H16N8.2ClH.Sn/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;2*1H;/q-2;+4/p-2

InChI Key

BBRNKSXHHJRNHK-UHFFFAOYSA-L

Melting Point

480 °C

Purity

97%

Solubility

Insoluble in water

Appearance

Dark red to Dark purple to Dark blue powder to crystal

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

1240

Covalently-Bonded Unit Count

Exact Mass

701.9897

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

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

MDL Number

MFCD00054210

Monoisotopic Mass

701.9897

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Refractive Index

1.48

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

0.87

Storage Conditions

Store under inert gas

Topological Polar Surface Area

82.3 Å²

MSDS