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Cobalt(II) phthalocyanine
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Name

Cobalt(II) phthalocyanine

 EINECS 222-012-7
CAS No. 3317-67-7 Density 1.56 g/cm3
PSA 69.16000 LogP 2.61600
Solubility Insoluble in water. Melting Point >300 °C
Formula C32H16CoN8 Boiling Point N/A
Molecular Weight 571.526 Flash Point N/A
Transport Information N/A Appearance purple powder
Safety 36/37 Risk Codes 40
Molecular Structure Molecular Structure of 3317-67-7 (COBALT(II) PHTHALOCYANINE) Hazard Symbols HarmfulXn
Synonyms

Cobalt,[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-;Cobalt,[phthalocyaninato(2-)]- (8CI);Phthalocyanine, cobalt deriv. (6CI);29H,31H-Phthalocyanine, cobalt deriv.;C.I. 74160:2;C.I. Pigment Blue 75;Chromofine Blue 5000P;Cobaltphthalocyanin;Cobalt phthalocyanine;Cobalt(2+) phthalocyaninate;Cobalt(2+)phthalocyanine;Cobalt(II) phthalocyanine;Cobaltous phthalocyanine;KJB 001;NSC 187643;O 270;Phthalocyaninatocobalt(II);Phthalocyanine cobalt;Phthalocyanine cobalt complex;Pigment Blue 75;Sanyo O 270;[29H,31H-Phthalocyaninato(2-)-kN29,kN30,kN31,kN32]cobalt;[Phthalocyaninato(2-)]cobalt;

Article Data 56

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

57-13-6

urea

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

57-13-6

urea

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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