Basic information
- CAS
574-93-6- Standard SMILES
c1ccc2c(c1)-c1nc3nc(nc4[nH]c([nH]c5nc(nc-2n1)-c1ccccc1-5)c1ccccc41)-c1ccccc1-3- InChIKey
IEQIEDJGQAUEQZ-UHFFFAOYSA-N- Molecular formula
- C32H18N8
- Average molar mass
- 514.5 g/mol
- Monoisotopic mass
- 514.16544261
Overview
Phthalocyanine is under investigation in clinical trial NCT00103246 (Photodynamic Therapy Using Silicon Phthalocyanine 4 in Treating Patients With Actinic Keratosis, Bowen's Disease, Skin Cancer, or Stage I or Stage II Mycosis Fungoides).
Names & identifiers
- Preferred name
- Pigment blue
- 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(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene
- English name
- Phthalocyanine
- Molecular formula
- C32H18N8
- Molecular weight
- 514.54
Names & synonyms
pigment blueorb2901130CID 8979AKOS040753552T34053H2PC29H,31H-PHTHALOCYANINECI-74100polymonblueglionolbluekwycloeicosineheliogenblueg
Show more names
Blue Pigment Birgazinblue3gtPHTHALOCYANINE
Database identifiers
- CAS
574-93-6- PubChem CID
- 8979
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 917
Physicochemical properties
- Melting point
- 300 °C · >300 °C (dec.)(lit.)
- Boiling point
- 590.15 °C · 590.15°C (rough estimate)
- Density
- 1.6931 · 1.6931 (rough estimate)
- refractive index
- 1.932 · 1.9320 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMF: soluble
- Colour Index
- 74100 · 74100
- form
- Powder
- color
- blue black
- Water Solubility
- Insoluble in water.
- λmax
- 698 nm · 698 nm
- ex/em
- 699 · λex 699, 664, 603 nm; λem 782, 736, 701 nm in chloronaphthalene
- BRN
- 378323 · 378323
- Cosmetics Ingredients Functions
- COLORANT
- InChIKey
- IEQIEDJGQAUEQZ-UHFFFAOYSA-N
- SMILES
- C1C2=C(C3N([H])C2=NC2=NC(C4=C2C=CC=C4)=NC2N([H])C(=C4C=2C=CC=C4)N=C2N=C(C4=C2C=CC=C4)N=3)C=CC=1 |c:19,33,t:7,45|
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazardous Substances Data
- 574-93-6(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionPhthalocyanine is a macrocyclic compound, It consists of four isoindole-class [(C6H4)C2N] units linked by four nitrogen atoms to form a conjugated chain, which take play in hosting various different metal ions in its centre. This macrocyclic structure like porphyrins(biopigments) is highly coloured Phthalocyanine derivatives derived from the basic compound of (C6H4C2N)4N4 are used as light-fast blue or green pigments. The hosted metals and substituted groups result in distinct colors; phthalocyanine (blue-green), copper phthalocyanine (blue), chlorinated copper phthalocyanine (green), and sulfonated copper phthalocyanine (green). They have also been involved in the study of photosensitizer chemistry or metal complex chemistry such as transition-metal complex catalyst chemistry for uniform polymerization, luminescence chemistry and spectrophotometric analysis, organic synthesis and polymerization. Phthalocyanine pigments are used in enamels, linoleum, inks, plastics, and rubber goods. Photoisomerizable phthalocyanines are used in rewritable CD or DVD printing. Some phthalocyanines such as fluoraluminium phthalocyanine are used in cancer treatment. Due to pi-electron cloud overlaps, phthalocyanines exhibit semiconductor property. Organic semiconductors have some merits of self radiation, flexibility, light weight, easy fabrication, and low cost. They have been investigated as organic electroluminescence materials for the applications in organic solar cells, biosensitizers and display devices such as OLED(Organic Light Emitting Diode), OTFT(Organic Thin Film Transistor), Wearable Display, and e-paper.Phthalocyanine green is a bluish green pigment with outstanding lightfastness and stability commercially produced since 1938.Phthalocyanine blue is a bright blue pigment with outstanding properties which was in use by many modern painters such as Mondrian, Pollock, and others.
UsesPhthalocyanine is a common macrocylic blue-green dye able to form coordination complexes with many elements on the periodic table.
Upstream & downstream products
Downstream products
Related reactions
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Compound notes
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