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Cobalt(II) phthalocyanine

  • Name Cobalt(II) phthalocyanine
  • EINECS222-012-7
  • CAS No. 3317-67-7
  • Density1.56 g/cm3
  • PSA69.16000
  • LogP2.61600
  • SolubilityInsoluble in water.
  • Melting Point>300 °C
  • FormulaC32H16CoN8
  • Boiling PointN/A
  • Molecular Weight571.526
  • Flash PointN/A
  • Transport InformationN/A
  • Appearancepurple powder
  • Safety36/37
  • Risk Codes40
  • Molecular Structure
    Molecular Structure of 3317-67-7 (COBALT(II) PHTHALOCYANINE)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data56

Cobalt(II) phthalocyanine Synthetic route

6147-53-1

cobalt(II) diacetate tetrahydrate

574-93-6

29H,31H-Phthalocyanine

3317-67-7

cobalt(II) phthalocyanine

Conditions
ConditionsYield
With butyl(2-hydroxyethyl)dimethylammonium acetate at 100℃; Ionic liquid; Inert atmosphere;99%
With tributyl-amine In pentan-1-ol at 160℃; for 2h; Inert atmosphere;20 mg

cobalt(II) chloride hexahydrate

91-15-6

phthalonitrile

3317-67-7

cobalt(II) phthalocyanine

Conditions
ConditionsYield
With ammonium molybdate at 110℃; for 0.166667h; Microwave irradiation;92%
136918-14-4

phthalimide

cobalt(II) chloride hexahydrate

3317-67-7

cobalt(II) phthalocyanine

Conditions
ConditionsYield
With ammonium molybdate at 120℃; for 0.166667h; Microwave irradiation;92%

Cobalt(II) phthalocyanine Specification

The Cobalt,[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)- with the CAS registry number of 3317-67-7 is also called [29H,31H-phthalocyaninato-N29,N30,N31,N32]cobalt. It belongs to the classes of Organometallics; Classes of Metal Compounds; Cobalt Compounds; Functional Materials; Phthalocyanines; Phthalonitriles & Naphthalonitriles; Transition Metal Compounds. The other registry number is CB6261489. Its IUPAC name is Phthalocyanine cobalt(II) salt. In addition, the molecular formula is C32H16CoN8 and molecular weight is 571.46.

Physical properties about Cobalt,[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)- are: (1) ACD/LogP: 4.21;  (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 4.19; (4) ACD/LogD (pH 7.4): 4.2; (5) #H bond acceptors: 8; (6) #H bond donors: 1; (7)  Polar Surface Area: 98.55 Å2; (8) Index of Refraction: 1.891; (9) Molar Refractivity: 151.51 cm3; (10) Molar Volume: 327.9 cm3; (11)  Polarizability: 60.06×10-24 cm3; (12) Surface Tension: 71.8 dyne/cm; (13) Density: 1.56 g/cm3

You can still convert the following datas into molecular structure:
(1)SMILES:N1=C8N=C(N=C6NC(=NC5=NC(=NC3N=C1c2ccccc23)c4ccccc45)c7ccccc67)c9ccccc89
(2)InChI:InChI=1/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/h1-16,25H,(H,33,34,35,36,37,38,39,40)
(3)InChIKey:FBRLOHUYELSNCW-UHFFFAOYAA
(4)Std. 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/h1-16,25H,(H,33,34,35,36,37,38,39,40)
(5)Std. InChIKey:FBRLOHUYELSNCW-UHFFFAOYSA-N

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