Phthalocyanine (purified by sublimation)
Catalog Number
ACM574936-2
CAS
574-93-6
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
Synonyms
Pigment Blue 16 (purified by sublimation)
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).
Molecular Weight
514.55
Molecular Formula
C32H18N8
Product Information
Description
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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)
InChIKey
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
storage
Store under inert gas
Complexity
777
Condition To Avoid
Light Sensitive
Hazard Statements
H351 : Suspected of causing cancer.
Heavy Atom Count
40
MDL Number
MFCD00005085
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.
Reaxys Registry Number
378323
Refractive Index
1.48
Rotatable Bond Count
0
Signal Word
Warning
Specific Gravity
0.87
Monoisotopic Mass
514.165443g/mol
Exact Mass
514.165443g/mol
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