(Phthalocyaninato(2-))cobalt
Basic information
- CAS
3317-67-7- Standard SMILES
[Co+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21- InChIKey
MPMSMUBQXQALQI-UHFFFAOYSA-N- Molecular formula
- C32H16CoN8
- Average molar mass
- 571.5 g/mol
- Monoisotopic mass
- 571.082986
Overview
See also: Cobalt phthalocyanine (preferred).
Names & identifiers
- Preferred name
- (Phthalocyaninato(2-))cobalt
- IUPAC
- cobalt(2+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[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
- English name
- COBALT(II) PHTHALOCYANINE
- Molecular formula
- C32H16CoN8
- Molecular weight
- 571.46
Names & synonyms
36344-62-4cobalt(2+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[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(Phthalocyaninato(2-))cobaltCobalt, (phthalocyaninato(2-))-NSC 187643CobaltphthalocyaninePhthalocyanine cobaltorb1219286orb1307092NSC40711NSC-40711CS-5113
Show more names
COPCCOBALT PHTHALOCYANINEPCCOCobalt phthalocyaninPigmentBlue75Cobalt PhtalocyanineCobalt(II) phtalocyanineCobaltous phthalocyanineCOBALT(+2)PHTHALOCYANINE
HY-18761Cobalt, [29H,31H-phthalocyaninato(2-)-N29-,N30-,N31-,N32-]-, (SP-4-1)-
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 983
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 0.677 g/cm3 · 0.677g/cm3
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 1 mg/mL · DMSO: < 1 mg/mL (insoluble or slightly soluble)
- form
- crystal
- color
- purple
- Water Solubility
- Insoluble in water.
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- BRN
- 4121847 · 4121847
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChIKey
- MPMSMUBQXQALQI-UHFFFAOYSA-N
- SMILES
- N12[Co]N3C4N=C5C6C=CC=CC=6C(=N5)N=C1C1C=CC=CC=1C2=NC1=NC(C2C=CC=CC1=2)=NC3=C1C=4C=CC=C1 |c:16,27,39,t:4|
- LogP
- -1.1 · -1.1
- EPA Substance Registry System
- 29 H,31H-phthalocyaninato · Cobalt, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)- (3317-67-7)
- UNSPSC Code
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
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard statements
- H351
- REACH Registrations
- Active
- Precautionary statements
- P201-P308+P313
Chemistry & industry
Applications
DescriptionCobalt phthalocynine (CoPc) is a member of metal phthalocyanines (MPcs) are frequently used in manyorganic electronic devices such as light-emitting diodes (LEDs), organic photovoltaics (OPVs), organic field-effect transistors (OFETs) and chemical sensors as a p-type semiconducting material. Compared to otherhole-injection layer (HIL) materials, most metal phthalocyanines are water and air stable, thermally stable, and nontoxic.They can be sublimed or sputtered with highly uniform, thin films on a variety of substrates. The synthesis of such materials are also relatively inexpensive and easy to prepare. The chemical structure of MPc allows tuning of its ionisation potential orHOMO levels by altering the central atom in Pc macrocycles.
UsesCobalt(II) phthalocyanine may be used to develop carbon black based electrocatalysts. CoPC may be used as an end capping agent of a hyperbranched poly(aryl ether ketone) to be used for oxidative decomposition of 2,4,6,-trichlorophenol. CoPC modified carbon paste may be used as indicators for electrocatalytic amperometric measurements. ZnO impregnated with CoPC may be used as a sensitizer to determine the photodegradation of cyanide in aqueous suspension. CoPC catalyzed aerobic regenerations of aldehydes and ketones have been investigated.
General DescriptionCobalt(II) phthalocyanine (CoPC )is a metallopthalocyanine.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…